2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide

C13H25N3O — CID 106034255

IUPAC2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
SMILESCC(C)C(C#N)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)12(9-14)13(17)15-7-6-8-16(5)11(3)4/h10-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyOLVMLTLYMDNEIY-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.63
Rot. Bonds7

About 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide

2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide (PubChem CID 106034255) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
PubChem CID106034255
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
SMILESCC(C)C(C#N)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)12(9-14)13(17)15-7-6-8-16(5)11(3)4/h10-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyOLVMLTLYMDNEIY-UHFFFAOYSA-N
XLogP1.63
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide 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-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106842207
2-cyano-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 107856882
3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-sulfanylbutanamide
CID 106040675
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
2-carbamothioyl-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114139141
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
CID 106236788
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
CID 114140198

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
The IUPAC name of 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide (CID 106034255) is 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide is CC(C)C(C#N)C(=O)NCCCN(C)C(C)C.
What is the InChIKey of 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
The InChIKey is OLVMLTLYMDNEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)12(9-14)13(17)15-7-6-8-16(5)11(3)4/h10-12H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide has a molecular weight of 239.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide is sourced from PubChem (CID 106034255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).