4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

C16H24N2O — CID 79526884

IUPAC4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H24N2O/c1-12-4-2-3-5-15(12)11-18-16(19)14-8-6-13(10-17)7-9-14/h2-5,13-14H,6-11,17H2,1H3,(H,18,19)
InChIKeyCYYRDNIDJCDMTF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.38
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 79526884) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID79526884
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H24N2O/c1-12-4-2-3-5-15(12)11-18-16(19)14-8-6-13(10-17)7-9-14/h2-5,13-14H,6-11,17H2,1H3,(H,18,19)
InChIKeyCYYRDNIDJCDMTF-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148008
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148018
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-methylphenyl)methyl]thiolane-3-carboxamide
CID 110850669
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
2-[2-[[(4-aminocyclohexanecarbonyl)amino]methyl]phenyl]acetic acid
CID 81313103
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362
N'-[2-(2-methylphenyl)acetyl]cyclopropanecarbohydrazide
CID 34261074

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 79526884) is 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is Cc1ccccc1CNC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is CYYRDNIDJCDMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-4-2-3-5-15(12)11-18-16(19)14-8-6-13(10-17)7-9-14/h2-5,13-14H,6-11,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79526884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).