4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

C17H26N2O — CID 81361448

IUPAC4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)C2CCC(CN)CC2)c1
InChIInChI=1S/C17H26N2O/c1-12-4-3-5-16(10-12)13(2)19-17(20)15-8-6-14(11-18)7-9-15/h3-5,10,13-15H,6-9,11,18H2,1-2H3,(H,19,20)/t13-,14?,15?/m0/s1
InChIKeyBOKPYWDJRHPVFS-NFOMZHRRSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds4

About 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81361448) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81361448
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)C2CCC(CN)CC2)c1
InChIInChI=1S/C17H26N2O/c1-12-4-3-5-16(10-12)13(2)19-17(20)15-8-6-14(11-18)7-9-15/h3-5,10,13-15H,6-9,11,18H2,1-2H3,(H,19,20)/t13-,14?,15?/m0/s1
InChIKeyBOKPYWDJRHPVFS-NFOMZHRRSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79526822
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81376555
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (CID 81361448) is 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is Cc1cccc([C@H](C)NC(=O)C2CCC(CN)CC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BOKPYWDJRHPVFS-NFOMZHRRSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-4-3-5-16(10-12)13(2)19-17(20)15-8-6-14(11-18)7-9-15/h3-5,10,13-15H,6-9,11,18H2,1-2H3,(H,19,20)/t13-,14?,15?/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81361448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).