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

C17H25NO — CID 116604116

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2(CN)CCC(C)CC2)c1
InChIInChI=1S/C17H25NO/c1-3-14-5-4-6-15(11-14)16(19)17(12-18)9-7-13(2)8-10-17/h4-6,11,13H,3,7-10,12,18H2,1-2H3
InChIKeyTZMXXOSEIMGAHS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.59
Rot. Bonds4

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

[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone (PubChem CID 116604116) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
PubChem CID116604116
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2(CN)CCC(C)CC2)c1
InChIInChI=1S/C17H25NO/c1-3-14-5-4-6-15(11-14)16(19)17(12-18)9-7-13(2)8-10-17/h4-6,11,13H,3,7-10,12,18H2,1-2H3
InChIKeyTZMXXOSEIMGAHS-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
CID 116604104
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone
CID 116604200
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180
[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
CID 116604219
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
1-(aminomethyl)-4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442067
3-ethylbenzoic acid;propane
CID 177324794
1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene
CID 22420628

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone (CID 116604116) is [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone is CCc1cccc(C(=O)C2(CN)CCC(C)CC2)c1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone?
The InChIKey is TZMXXOSEIMGAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-14-5-4-6-15(11-14)16(19)17(12-18)9-7-13(2)8-10-17/h4-6,11,13H,3,7-10,12,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone has a molecular weight of 259.39 g/mol, XLogP of 3.59, 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-ethylphenyl)methanone is sourced from PubChem (CID 116604116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).