2-butan-2-yl-N',N'-dimethyl-2-(naphthalen-1-ylmethyl)butane-1,4-diamine
Basic information
- CAS
27566-60-5- Standard SMILES
CCC(C)C(CN)(CCN(C)C)Cc1cccc2ccccc12- InChIKey
HMSHPCDDIHAGHN-UHFFFAOYSA-N- Molecular formula
- C21H32N2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.25654903
Names & identifiers
- Preferred name
- 2-butan-2-yl-N',N'-dimethyl-2-(naphthalen-1-ylmethyl)butane-1,4-diamine
- IUPAC
- 2-butan-2-yl-N',N'-dimethyl-2-(naphthalen-1-ylmethyl)butane-1,4-diamine
Names & synonyms
27566-60-5NSC1713832-butan-2-yl-N',N'-dimethyl-2-(naphthalen-1-ylmethyl)butane-1,4-diamineDTXSID20305660NSC-1713832-(Butan-2-yl)-N~4~,N~4~-dimethyl-2-[(naphthalen-1-yl)methyl]butane-1,4-diamine
Database identifiers
- CAS
27566-60-5- PubChem CID
- 298980
- DTXSID
DTXSID20305660
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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