2-[4-aminobutyl(methyl)amino]-N-methylacetamide

C8H19N3O — CID 43374665

IUPAC2-[4-aminobutyl(methyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCCCN
InChIInChI=1S/C8H19N3O/c1-10-8(12)7-11(2)6-4-3-5-9/h3-7,9H2,1-2H3,(H,10,12)
InChIKeyVVYMUPDRKLFQIU-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.60
Rot. Bonds6

About 2-[4-aminobutyl(methyl)amino]-N-methylacetamide

2-[4-aminobutyl(methyl)amino]-N-methylacetamide (PubChem CID 43374665) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[4-aminobutyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-aminobutyl(methyl)amino]-N-methylacetamide
PubChem CID43374665
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[4-aminobutyl(methyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCCCN
InChIInChI=1S/C8H19N3O/c1-10-8(12)7-11(2)6-4-3-5-9/h3-7,9H2,1-2H3,(H,10,12)
InChIKeyVVYMUPDRKLFQIU-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-aminobutyl(methyl)amino]-N-methylacetamide 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

3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 81493509
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutyl(methyl)amino]-N-methylacetamide?
The IUPAC name of 2-[4-aminobutyl(methyl)amino]-N-methylacetamide (CID 43374665) is 2-[4-aminobutyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[4-aminobutyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[4-aminobutyl(methyl)amino]-N-methylacetamide is CNC(=O)CN(C)CCCCN.
What is the InChIKey of 2-[4-aminobutyl(methyl)amino]-N-methylacetamide?
The InChIKey is VVYMUPDRKLFQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-10-8(12)7-11(2)6-4-3-5-9/h3-7,9H2,1-2H3,(H,10,12).
What are the key properties of 2-[4-aminobutyl(methyl)amino]-N-methylacetamide?
2-[4-aminobutyl(methyl)amino]-N-methylacetamide has a molecular weight of 173.26 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 43374665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).