N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide

C15H22N2O — CID 113283646

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-7-5-6-10-15(12,11-16)17-14(18)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11,16H2,1H3,(H,17,18)
InChIKeyKIBWWWXFPVWORL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.32
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide

N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide (PubChem CID 113283646) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
PubChem CID113283646
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-7-5-6-10-15(12,11-16)17-14(18)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11,16H2,1H3,(H,17,18)
InChIKeyKIBWWWXFPVWORL-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide (CID 113283646) is N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide is CC1CCCCC1(CN)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide?
The InChIKey is KIBWWWXFPVWORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-5-6-10-15(12,11-16)17-14(18)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 113283646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).