N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide

C16H24N2O — CID 106826035

IUPACN-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-12(13-7-6-8-14(17)11-13)18-15(19)16(2)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyIMRMWANKAFFWIQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide

N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106826035) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106826035
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-12(13-7-6-8-14(17)11-13)18-15(19)16(2)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyIMRMWANKAFFWIQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 112726205
N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 134014985
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
CID 103555377
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
N-[1-(3-aminophenyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309035
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63139771

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide (CID 106826035) is N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide is CC(NC(=O)C1(C)CCCCC1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is IMRMWANKAFFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(13-7-6-8-14(17)11-13)18-15(19)16(2)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106826035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).