2-[hexyl(methyl)amino]acetamide

C9H20N2O — CID 12878153

IUPAC2-[hexyl(methyl)amino]acetamide
SMILESCCCCCCN(C)CC(N)=O
InChIInChI=1S/C9H20N2O/c1-3-4-5-6-7-11(2)8-9(10)12/h3-8H2,1-2H3,(H2,10,12)
InChIKeyNDGHACYWDAZONG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.98
Rot. Bonds7

About 2-[hexyl(methyl)amino]acetamide

2-[hexyl(methyl)amino]acetamide (PubChem CID 12878153) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[hexyl(methyl)amino]acetamide.

Molecular Properties

Compound Name2-[hexyl(methyl)amino]acetamide
PubChem CID12878153
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[hexyl(methyl)amino]acetamide
SMILESCCCCCCN(C)CC(N)=O
InChIInChI=1S/C9H20N2O/c1-3-4-5-6-7-11(2)8-9(10)12/h3-8H2,1-2H3,(H2,10,12)
InChIKeyNDGHACYWDAZONG-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[hexyl(methyl)amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[hexyl(methyl)amino]acetamide?
The IUPAC name of 2-[hexyl(methyl)amino]acetamide (CID 12878153) is 2-[hexyl(methyl)amino]acetamide.
What is the SMILES notation for 2-[hexyl(methyl)amino]acetamide?
The canonical SMILES for 2-[hexyl(methyl)amino]acetamide is CCCCCCN(C)CC(N)=O.
What is the InChIKey of 2-[hexyl(methyl)amino]acetamide?
The InChIKey is NDGHACYWDAZONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-5-6-7-11(2)8-9(10)12/h3-8H2,1-2H3,(H2,10,12).
What are the key properties of 2-[hexyl(methyl)amino]acetamide?
2-[hexyl(methyl)amino]acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(methyl)amino]acetamide is sourced from PubChem (CID 12878153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).