5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide

C12H25N3O — CID 123671122

IUPAC5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide
SMILESCCC(C)/C(N)=N/CCCCC(=O)N(C)C
InChIInChI=1S/C12H25N3O/c1-5-10(2)12(13)14-9-7-6-8-11(16)15(3)4/h10H,5-9H2,1-4H3,(H2,13,14)
InChIKeyHFHDJJYJHGJIHF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds7

About 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide

5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide (PubChem CID 123671122) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide.

Molecular Properties

Compound Name5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide
PubChem CID123671122
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide
SMILESCCC(C)/C(N)=N/CCCCC(=O)N(C)C
InChIInChI=1S/C12H25N3O/c1-5-10(2)12(13)14-9-7-6-8-11(16)15(3)4/h10H,5-9H2,1-4H3,(H2,13,14)
InChIKeyHFHDJJYJHGJIHF-UHFFFAOYSA-N
XLogP1.65
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide 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 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide?
The IUPAC name of 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide (CID 123671122) is 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide.
What is the SMILES notation for 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide?
The canonical SMILES for 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide is CCC(C)/C(N)=N/CCCCC(=O)N(C)C.
What is the InChIKey of 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide?
The InChIKey is HFHDJJYJHGJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-10(2)12(13)14-9-7-6-8-11(16)15(3)4/h10H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide?
5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide has a molecular weight of 227.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpentanamide is sourced from PubChem (CID 123671122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).