[1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H28N2O2 — CID 107404083

IUPAC[1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(19)6-5-10-17(11-9-14)13(18)15(12-16)7-3-2-4-8-15/h19H,2-12,16H2,1H3
InChIKeyCJMRCICRFMBKBF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.66
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

[1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404083) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404083
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(CN)CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(19)6-5-10-17(11-9-14)13(18)15(12-16)7-3-2-4-8-15/h19H,2-12,16H2,1H3
InChIKeyCJMRCICRFMBKBF-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404083) is [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2(CN)CCCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is CJMRCICRFMBKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(19)6-5-10-17(11-9-14)13(18)15(12-16)7-3-2-4-8-15/h19H,2-12,16H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
[1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).