N,6,6-Trimethyl-N-((naphthalen-1-yl)methyl)hept-2-en-4-yn-1-amine

HCID 5402
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Basic information

Standard SMILES
CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12
InChIKey
DOMXUEMWDBAQBQ-UHFFFAOYSA-N
Molecular formula
C21H25N
Average molar mass
291.4 g/mol
Monoisotopic mass
291.1986998

Names & identifiers

Preferred name
N,6,6-Trimethyl-N-((naphthalen-1-yl)methyl)hept-2-en-4-yn-1-amine
IUPAC
N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine

Names & synonyms

DTXSID50861123N,6,6-Trimethyl-N-((naphthalen-1-yl)methyl)hept-2-en-4-yn-1-amineN,6,6-Trimethyl-N-[(naphthalen-1-yl)methyl]hept-2-en-4-yn-1-amineRefChem:1090201DTXCID00810368N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amineN,6,6-trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamines1725SCHEMBL37843orb1223676SCHEMBL29627458HMS3655A06
Show more names
HMS3744E09AKOS030228651AB05470NCGC00159346-05NS00132703Q27166507N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine(E)-N-(6,6-dimethyl-2-heptenynyl)-N-methyl-1-naphthalenementhamin hydrochloride

Database identifiers

PubChem CID
5402
DTXSID
DTXSID50861123

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

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