N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride

C11H25ClN2O — CID 119796498

IUPACN-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(C)C(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-9(2)10(3)8-13-11(14)6-5-7-12-4;/h9-10,12H,5-8H2,1-4H3,(H,13,14);1H
InChIKeyIIYKKKKDZWNDSF-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.82
Rot. Bonds7

About N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride

N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119796498) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119796498
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC NameN-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(C)C(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-9(2)10(3)8-13-11(14)6-5-7-12-4;/h9-10,12H,5-8H2,1-4H3,(H,13,14);1H
InChIKeyIIYKKKKDZWNDSF-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;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

7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
CID 66168913
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
CID 106175507
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813
4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119849872
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
5-methyl-3-[[4-(methylamino)butanoylamino]methyl]hexanoic acid
CID 65494760
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
CID 115738998
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride (CID 119796498) is N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCC(C)C(C)C.Cl.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is IIYKKKKDZWNDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-9(2)10(3)8-13-11(14)6-5-7-12-4;/h9-10,12H,5-8H2,1-4H3,(H,13,14);1H.
What are the key properties of N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride?
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119796498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).