4-methyl-1-(4-methylcyclohexyl)azepan-4-ol

C14H27NO — CID 107408054

IUPAC4-methyl-1-(4-methylcyclohexyl)azepan-4-ol
SMILESCC1CCC(N2CCCC(C)(O)CC2)CC1
InChIInChI=1S/C14H27NO/c1-12-4-6-13(7-5-12)15-10-3-8-14(2,16)9-11-15/h12-13,16H,3-11H2,1-2H3
InChIKeyAQVUBYFUWCXCPM-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds1

About 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol

4-methyl-1-(4-methylcyclohexyl)azepan-4-ol (PubChem CID 107408054) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(4-methylcyclohexyl)azepan-4-ol
PubChem CID107408054
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-methyl-1-(4-methylcyclohexyl)azepan-4-ol
SMILESCC1CCC(N2CCCC(C)(O)CC2)CC1
InChIInChI=1S/C14H27NO/c1-12-4-6-13(7-5-12)15-10-3-8-14(2,16)9-11-15/h12-13,16H,3-11H2,1-2H3
InChIKeyAQVUBYFUWCXCPM-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol?
The IUPAC name of 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol (CID 107408054) is 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol.
What is the SMILES notation for 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol?
The canonical SMILES for 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol is CC1CCC(N2CCCC(C)(O)CC2)CC1.
What is the InChIKey of 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol?
The InChIKey is AQVUBYFUWCXCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-4-6-13(7-5-12)15-10-3-8-14(2,16)9-11-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol?
4-methyl-1-(4-methylcyclohexyl)azepan-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylcyclohexyl)azepan-4-ol is sourced from PubChem (CID 107408054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).