2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide

C16H27N3O — CID 107472557

IUPAC2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
SMILESCN(C)c1cccc(NC(=O)C(CN)CC(C)(C)C)c1
InChIInChI=1S/C16H27N3O/c1-16(2,3)10-12(11-17)15(20)18-13-7-6-8-14(9-13)19(4)5/h6-9,12H,10-11,17H2,1-5H3,(H,18,20)
InChIKeyKMCGMOOSDYVICQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.70
Rot. Bonds5

About 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide (PubChem CID 107472557) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
PubChem CID107472557
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
SMILESCN(C)c1cccc(NC(=O)C(CN)CC(C)(C)C)c1
InChIInChI=1S/C16H27N3O/c1-16(2,3)10-12(11-17)15(20)18-13-7-6-8-14(9-13)19(4)5/h6-9,12H,10-11,17H2,1-5H3,(H,18,20)
InChIKeyKMCGMOOSDYVICQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide 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

(2S)-2-amino-N-[3-(dimethylamino)phenyl]butanediamide
CID 110482736
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide (CID 107472557) is 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide is CN(C)c1cccc(NC(=O)C(CN)CC(C)(C)C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide?
The InChIKey is KMCGMOOSDYVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)10-12(11-17)15(20)18-13-7-6-8-14(9-13)19(4)5/h6-9,12H,10-11,17H2,1-5H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide has a molecular weight of 277.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107472557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).