1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol

C19H37NO — CID 91048541

IUPAC1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)(CCN1CCCCCC1)CC1CCCCC1
InChIInChI=1S/C19H37NO/c1-17(2)19(21,16-18-10-6-5-7-11-18)12-15-20-13-8-3-4-9-14-20/h17-18,21H,3-16H2,1-2H3
InChIKeyJHIDSSVAXCVNMX-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.61
Rot. Bonds6

About 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol

1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol (PubChem CID 91048541) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol
PubChem CID91048541
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)(CCN1CCCCCC1)CC1CCCCC1
InChIInChI=1S/C19H37NO/c1-17(2)19(21,16-18-10-6-5-7-11-18)12-15-20-13-8-3-4-9-14-20/h17-18,21H,3-16H2,1-2H3
InChIKeyJHIDSSVAXCVNMX-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol?
The IUPAC name of 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol (CID 91048541) is 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol?
The canonical SMILES for 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol is CC(C)C(O)(CCN1CCCCCC1)CC1CCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol?
The InChIKey is JHIDSSVAXCVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-17(2)19(21,16-18-10-6-5-7-11-18)12-15-20-13-8-3-4-9-14-20/h17-18,21H,3-16H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol?
1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol has a molecular weight of 295.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol is sourced from PubChem (CID 91048541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).