2-(aminomethyl)-N,4-dimethylhexanamide

C9H20N2O — CID 62313426

IUPAC2-(aminomethyl)-N,4-dimethylhexanamide
SMILESCCC(C)CC(CN)C(=O)NC
InChIInChI=1S/C9H20N2O/c1-4-7(2)5-8(6-10)9(12)11-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyZWOCEFVESQVSBY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.74
Rot. Bonds5

About 2-(aminomethyl)-N,4-dimethylhexanamide

2-(aminomethyl)-N,4-dimethylhexanamide (PubChem CID 62313426) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4-dimethylhexanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,4-dimethylhexanamide
PubChem CID62313426
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(aminomethyl)-N,4-dimethylhexanamide
SMILESCCC(C)CC(CN)C(=O)NC
InChIInChI=1S/C9H20N2O/c1-4-7(2)5-8(6-10)9(12)11-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyZWOCEFVESQVSBY-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N,4-dimethylhexanamide 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

2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782
2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide
CID 116502231
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
2-(hydroxymethyl)-N-methylbutanamide
CID 58973980
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
2-ethyl-N-methylbutanediamide
CID 89267144
4-(aminomethyl)-2,7-dimethylnonan-5-one
CID 116597857
2-ethyl-N-methylpentanamide
CID 55287466
2-(aminomethyl)-4-ethyl-N-propylhexanamide
CID 62313783
(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
CID 142755438
(2R)-3-amino-2-hydroxy-N-methylpropanamide
CID 55284383

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4-dimethylhexanamide?
The IUPAC name of 2-(aminomethyl)-N,4-dimethylhexanamide (CID 62313426) is 2-(aminomethyl)-N,4-dimethylhexanamide.
What is the SMILES notation for 2-(aminomethyl)-N,4-dimethylhexanamide?
The canonical SMILES for 2-(aminomethyl)-N,4-dimethylhexanamide is CCC(C)CC(CN)C(=O)NC.
What is the InChIKey of 2-(aminomethyl)-N,4-dimethylhexanamide?
The InChIKey is ZWOCEFVESQVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7(2)5-8(6-10)9(12)11-3/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-N,4-dimethylhexanamide?
2-(aminomethyl)-N,4-dimethylhexanamide has a molecular weight of 172.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4-dimethylhexanamide is sourced from PubChem (CID 62313426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).