[2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol

C14H27NO — CID 165465534

IUPAC[2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol
SMILESCC(C)C1(CO)CC1CN1CCCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)14(11-16)9-13(14)10-15-7-5-3-4-6-8-15/h12-13,16H,3-11H2,1-2H3
InChIKeyURFLWGLRLZFKKA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds4

About [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol

[2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol (PubChem CID 165465534) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol.

Molecular Properties

Compound Name[2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol
PubChem CID165465534
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol
SMILESCC(C)C1(CO)CC1CN1CCCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)14(11-16)9-13(14)10-15-7-5-3-4-6-8-15/h12-13,16H,3-11H2,1-2H3
InChIKeyURFLWGLRLZFKKA-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol
CID 24857509
1-(spiro[2.5]octan-2-ylmethyl)piperidine
CID 167550931
1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine
CID 90762745
(2R)-2-(piperidin-1-ylmethyl)-6-azaspiro[2.5]octane
CID 95358767
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
[2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571987
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
2-(azepan-1-ylmethyl)-3,3-dimethylbutanoic acid
CID 117242461
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol?
The IUPAC name of [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol (CID 165465534) is [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol.
What is the SMILES notation for [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol?
The canonical SMILES for [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol is CC(C)C1(CO)CC1CN1CCCCCC1.
What is the InChIKey of [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol?
The InChIKey is URFLWGLRLZFKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)14(11-16)9-13(14)10-15-7-5-3-4-6-8-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol?
[2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-ylmethyl)-1-propan-2-ylcyclopropyl]methanol is sourced from PubChem (CID 165465534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).