1-cyclopentyl-4-methylazepan-4-ol

C12H23NO — CID 107408390

IUPAC1-cyclopentyl-4-methylazepan-4-ol
SMILESCC1(O)CCCN(C2CCCC2)CC1
InChIInChI=1S/C12H23NO/c1-12(14)7-4-9-13(10-8-12)11-5-2-3-6-11/h11,14H,2-10H2,1H3
InChIKeyIKANQNSKHMBKMW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.17
Rot. Bonds1

About 1-cyclopentyl-4-methylazepan-4-ol

1-cyclopentyl-4-methylazepan-4-ol (PubChem CID 107408390) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-methylazepan-4-ol
PubChem CID107408390
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclopentyl-4-methylazepan-4-ol
SMILESCC1(O)CCCN(C2CCCC2)CC1
InChIInChI=1S/C12H23NO/c1-12(14)7-4-9-13(10-8-12)11-5-2-3-6-11/h11,14H,2-10H2,1H3
InChIKeyIKANQNSKHMBKMW-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propan-2-yl-4-(trifluoromethyl)azepan-4-ol
CID 65077123
1-Propan-2-yl-4-(3,3,3-trifluoropropyl)azepan-4-ol
CID 65077421
4-(Difluoromethyl)-1-propan-2-ylazepan-4-ol
CID 80604393
1-(3-Fluoropropyl)-4-methylazepan-4-ol
CID 107408066
1-(2-Fluoroethyl)-4-methylazepan-4-ol
CID 107408296
1,4-Dimethylazepan-4-ol
CID 22967006
4-Methyl-1-(2-methylpropyl)azepan-4-ol
CID 59603507
1-Methyl-4-propan-2-ylazepan-4-ol
CID 65074919
4-Ethyl-1-methylazepan-4-ol
CID 65075231
4-(Aminomethyl)-1-propan-2-ylazepan-4-ol
CID 65077343
4-Methyl-1-propan-2-ylazepan-4-ol
CID 65077624
4-Ethyl-1-propan-2-ylazepan-4-ol
CID 65077625

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylazepan-4-ol?
The IUPAC name of 1-cyclopentyl-4-methylazepan-4-ol (CID 107408390) is 1-cyclopentyl-4-methylazepan-4-ol.
What is the SMILES notation for 1-cyclopentyl-4-methylazepan-4-ol?
The canonical SMILES for 1-cyclopentyl-4-methylazepan-4-ol is CC1(O)CCCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-methylazepan-4-ol?
The InChIKey is IKANQNSKHMBKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(14)7-4-9-13(10-8-12)11-5-2-3-6-11/h11,14H,2-10H2,1H3.
What are the key properties of 1-cyclopentyl-4-methylazepan-4-ol?
1-cyclopentyl-4-methylazepan-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylazepan-4-ol is sourced from PubChem (CID 107408390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).