4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide

C18H28N2O — CID 79519273

IUPAC4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1CCC(CN)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-14(16-5-3-2-4-6-16)11-12-20-18(21)17-9-7-15(13-19)8-10-17/h2-6,14-15,17H,7-13,19H2,1H3,(H,20,21)
InChIKeyPMLFORAKJZBYSX-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.06
Rot. Bonds6

About 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide (PubChem CID 79519273) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
PubChem CID79519273
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1CCC(CN)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-14(16-5-3-2-4-6-16)11-12-20-18(21)17-9-7-15(13-19)8-10-17/h2-6,14-15,17H,7-13,19H2,1H3,(H,20,21)
InChIKeyPMLFORAKJZBYSX-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95293621
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884
3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119814967

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide (CID 79519273) is 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide is CC(CCNC(=O)C1CCC(CN)CC1)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
The InChIKey is PMLFORAKJZBYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(16-5-3-2-4-6-16)11-12-20-18(21)17-9-7-15(13-19)8-10-17/h2-6,14-15,17H,7-13,19H2,1H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79519273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).