2-(5-aminohexanoylamino)-N,4-dimethylpentanamide

C13H27N3O2 — CID 82848725

IUPAC2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CCCC(C)N
InChIInChI=1S/C13H27N3O2/c1-9(2)8-11(13(18)15-4)16-12(17)7-5-6-10(3)14/h9-11H,5-8,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyMJURCGZMENMCEX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.78
Rot. Bonds8

About 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide

2-(5-aminohexanoylamino)-N,4-dimethylpentanamide (PubChem CID 82848725) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
PubChem CID82848725
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CCCC(C)N
InChIInChI=1S/C13H27N3O2/c1-9(2)8-11(13(18)15-4)16-12(17)7-5-6-10(3)14/h9-11H,5-8,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyMJURCGZMENMCEX-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide 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

(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
5-amino-N-pentan-3-ylhexanamide
CID 82848944
5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 146517470
methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137
2-(5-aminohexanoylamino)pent-4-ynoic acid
CID 82853867
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide?
The IUPAC name of 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide (CID 82848725) is 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide.
What is the SMILES notation for 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide?
The canonical SMILES for 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(=O)CCCC(C)N.
What is the InChIKey of 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide?
The InChIKey is MJURCGZMENMCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)8-11(13(18)15-4)16-12(17)7-5-6-10(3)14/h9-11H,5-8,14H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide?
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexanoylamino)-N,4-dimethylpentanamide is sourced from PubChem (CID 82848725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).