3-amino-N-(2-methylpropyl)propanamide;hydrochloride

C7H17ClN2O — CID 53409687

IUPAC3-amino-N-(2-methylpropyl)propanamide;hydrochloride
SMILESCC(C)CNC(=O)CCN.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-6(2)5-9-7(10)3-4-8;/h6H,3-5,8H2,1-2H3,(H,9,10);1H
InChIKeyFTYCLMBMESQDJV-UHFFFAOYSA-N
MW180.68 g/mol
LogP0.53
Rot. Bonds4

About 3-amino-N-(2-methylpropyl)propanamide;hydrochloride

3-amino-N-(2-methylpropyl)propanamide;hydrochloride (PubChem CID 53409687) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is 3-amino-N-(2-methylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methylpropyl)propanamide;hydrochloride
PubChem CID53409687
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name3-amino-N-(2-methylpropyl)propanamide;hydrochloride
SMILESCC(C)CNC(=O)CCN.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-6(2)5-9-7(10)3-4-8;/h6H,3-5,8H2,1-2H3,(H,9,10);1H
InChIKeyFTYCLMBMESQDJV-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(2-methylpropyl)propanamide;hydrochloride 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-Isobutylacetamide
CID 137071
Acetamidopropyl trimonium chloride
CID 57483053
n-Butyl-2-methylpropanamide
CID 221968
N-(3-aminopropyl)acetamide
CID 13793967
3-Amino-N-methylpropanamide
CID 14889074
N-methyl-3-(methylamino)propanamide
CID 12548977
N-ethylazetidine-3-carboxamide
CID 65963358
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633
N(1)-Acetylnorspermidine
CID 129852
N,N'-bis(3-methylbutyl)propanediamide
CID 2396523
N,2-dimethyl-3-(methylamino)propanamide
CID 20578861
3-amino-N-methylpropanamide hydrochloride
CID 14889075

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methylpropyl)propanamide;hydrochloride (CID 53409687) is 3-amino-N-(2-methylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methylpropyl)propanamide;hydrochloride is CC(C)CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(2-methylpropyl)propanamide;hydrochloride?
The InChIKey is FTYCLMBMESQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-6(2)5-9-7(10)3-4-8;/h6H,3-5,8H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-amino-N-(2-methylpropyl)propanamide;hydrochloride?
3-amino-N-(2-methylpropyl)propanamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 53409687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).