[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone

C19H27NO — CID 114607743

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
SMILESCC1CCC(CN)(C(=O)c2cccc(C3CCC3)c2)CC1
InChIInChI=1S/C19H27NO/c1-14-8-10-19(13-20,11-9-14)18(21)17-7-3-6-16(12-17)15-4-2-5-15/h3,6-7,12,14-15H,2,4-5,8-11,13,20H2,1H3
InChIKeyPPZISRMQBBIDSO-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.29
Rot. Bonds4

About [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone (PubChem CID 114607743) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
PubChem CID114607743
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
SMILESCC1CCC(CN)(C(=O)c2cccc(C3CCC3)c2)CC1
InChIInChI=1S/C19H27NO/c1-14-8-10-19(13-20,11-9-14)18(21)17-7-3-6-16(12-17)15-4-2-5-15/h3,6-7,12,14-15H,2,4-5,8-11,13,20H2,1H3
InChIKeyPPZISRMQBBIDSO-UHFFFAOYSA-N
XLogP4.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
CID 116604116
[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
CID 116604104
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
CID 117365945
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone (CID 114607743) is [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone is CC1CCC(CN)(C(=O)c2cccc(C3CCC3)c2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone?
The InChIKey is PPZISRMQBBIDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14-8-10-19(13-20,11-9-14)18(21)17-7-3-6-16(12-17)15-4-2-5-15/h3,6-7,12,14-15H,2,4-5,8-11,13,20H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone has a molecular weight of 285.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone is sourced from PubChem (CID 114607743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).