N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide

C17H26N2O — CID 63766094

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2(CN)CCC(C)CC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-7-9-17(11-18,10-8-12)19-16(20)15-6-4-5-13(2)14(15)3/h4-6,12H,7-11,18H2,1-3H3,(H,19,20)
InChIKeyARFKDEDNQWWFJS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide (PubChem CID 63766094) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
PubChem CID63766094
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2(CN)CCC(C)CC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-7-9-17(11-18,10-8-12)19-16(20)15-6-4-5-13(2)14(15)3/h4-6,12H,7-11,18H2,1-3H3,(H,19,20)
InChIKeyARFKDEDNQWWFJS-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide (CID 63766094) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC2(CN)CCC(C)CC2)c1C.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide?
The InChIKey is ARFKDEDNQWWFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-7-9-17(11-18,10-8-12)19-16(20)15-6-4-5-13(2)14(15)3/h4-6,12H,7-11,18H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 63766094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).