2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol

C13H25NO — CID 79052130

IUPAC2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
SMILESCC(C)(C(O)C1CC1)N1CCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,12(15)11-7-8-11)14-9-5-3-4-6-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyFGKCOJBSCDRNJZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds3

About 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol

2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol (PubChem CID 79052130) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
PubChem CID79052130
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
SMILESCC(C)(C(O)C1CC1)N1CCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,12(15)11-7-8-11)14-9-5-3-4-6-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyFGKCOJBSCDRNJZ-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82932578
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CID 79045834
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 82931304
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
1-cyclopropyl-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056145
1-cycloheptyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 82932107
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
CID 79065730
2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine
CID 79052643
[2-(azepan-1-yl)-1-cyclobutyl-2-methylpropyl]hydrazine
CID 105240404
2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol?
The IUPAC name of 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol (CID 79052130) is 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol is CC(C)(C(O)C1CC1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol?
The InChIKey is FGKCOJBSCDRNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,12(15)11-7-8-11)14-9-5-3-4-6-10-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol?
2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol is sourced from PubChem (CID 79052130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).