2-Methyl-6-(pyrrolidin-1-yl)heptan-2-ol

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Basic information

CAS: 37096-93-8
Standard SMILES: CC(CCCC(C)(C)O)N1CCCC1
InChIKey: YJEXLVQMCUHSKZ-UHFFFAOYSA-N
Molecular formula: C12H25NO
Average molar mass: 199.33 g/mol
Monoisotopic mass: 199.19361442

Names & identifiers

Preferred name: 2-Methyl-6-(pyrrolidin-1-yl)heptan-2-ol
IUPAC: 2-methyl-6-pyrrolidin-1-ylheptan-2-ol

Names & synonyms

2-methyl-6-(pyrrolidin-1-yl)heptan-2-ol37096-93-8DTXSID90958263RefChem:1063770DTXCID701386175alpha,alpha,epsilon-Trimethyl-1-pyrrolidinepentanol1-Pyrrolidinepentanol, alpha,alpha,epsilon-trimethyl-

Database identifiers

CAS: 37096-93-8
PubChem CID: 216097
DTXSID: DTXSID90958263

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 162

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Compound notes

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