4-cyclopentyl-1-ethylazepan-4-ol

C13H25NO — CID 65077802

IUPAC4-cyclopentyl-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(C2CCCC2)CC1
InChIInChI=1S/C13H25NO/c1-2-14-10-5-8-13(15,9-11-14)12-6-3-4-7-12/h12,15H,2-11H2,1H3
InChIKeyBMTOEZRQCMDQHR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds2

About 4-cyclopentyl-1-ethylazepan-4-ol

4-cyclopentyl-1-ethylazepan-4-ol (PubChem CID 65077802) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-cyclopentyl-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-cyclopentyl-1-ethylazepan-4-ol
PubChem CID65077802
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-cyclopentyl-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(C2CCCC2)CC1
InChIInChI=1S/C13H25NO/c1-2-14-10-5-8-13(15,9-11-14)12-6-3-4-7-12/h12,15H,2-11H2,1H3
InChIKeyBMTOEZRQCMDQHR-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

1-(1-ethylpiperidin-4-yl)cyclohexan-1-ol
CID 115073911
1-ethyl-4-(4-ethylcyclohexyl)piperidin-4-ol
CID 64749154
1-(1-ethylpiperidin-3-yl)cyclopropan-1-ol
CID 115073844
2-(2-piperidin-1-ylethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286638
4-cycloheptyl-1-methylpiperidin-4-ol
CID 82928068
2-octyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115421
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
2-[2-(bromomethyl)-2-ethylbutyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81102920
2-(3-ethylsulfanylpropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115723265
2-[2-ethyl-2-(sulfanylmethyl)butyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115193
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-cyclopropyl-N-ethylacetamide
CID 81115110

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-ethylazepan-4-ol?
The IUPAC name of 4-cyclopentyl-1-ethylazepan-4-ol (CID 65077802) is 4-cyclopentyl-1-ethylazepan-4-ol.
What is the SMILES notation for 4-cyclopentyl-1-ethylazepan-4-ol?
The canonical SMILES for 4-cyclopentyl-1-ethylazepan-4-ol is CCN1CCCC(O)(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-1-ethylazepan-4-ol?
The InChIKey is BMTOEZRQCMDQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-14-10-5-8-13(15,9-11-14)12-6-3-4-7-12/h12,15H,2-11H2,1H3.
What are the key properties of 4-cyclopentyl-1-ethylazepan-4-ol?
4-cyclopentyl-1-ethylazepan-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-ethylazepan-4-ol is sourced from PubChem (CID 65077802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).