N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide

C16H26N2O — CID 63764973

IUPACN-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
SMILESCCC(CC)(CN)NC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-16(7-2,10-17)18-15(19)14-12(4)8-11(3)9-13(14)5/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
InChIKeyAPCBTMODYDCXPS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.86
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide

N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide (PubChem CID 63764973) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
PubChem CID63764973
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
SMILESCCC(CC)(CN)NC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-16(7-2,10-17)18-15(19)14-12(4)8-11(3)9-13(14)5/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
InChIKeyAPCBTMODYDCXPS-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 114315150
N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
CID 107690286
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119570912
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 119570598
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119570119
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198957
N-[3-(aminomethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 63766299
N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide
CID 122228652
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
CID 114026640

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide (CID 63764973) is N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide is CCC(CC)(CN)NC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide?
The InChIKey is APCBTMODYDCXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-16(7-2,10-17)18-15(19)14-12(4)8-11(3)9-13(14)5/h8-9H,6-7,10,17H2,1-5H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide?
N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 63764973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).