4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide

C13H29N3O — CID 63054736

IUPAC4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(C)C(C)CCC)C(N)=O
InChIInChI=1S/C13H29N3O/c1-5-7-11(3)16(4)10-8-12(13(14)17)15-9-6-2/h11-12,15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyHRYCMYCBWUEINE-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds10

About 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide

4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide (PubChem CID 63054736) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
PubChem CID63054736
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(C)C(C)CCC)C(N)=O
InChIInChI=1S/C13H29N3O/c1-5-7-11(3)16(4)10-8-12(13(14)17)15-9-6-2/h11-12,15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyHRYCMYCBWUEINE-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(pentan-2-yl)amino]-2-(propylamino)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

4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide
CID 63053677
4-(dipropylamino)-2-(propylamino)butanamide
CID 63028004
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide
CID 63053089
(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
CID 87369953
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
CID 63055628
2-(ethylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63055682
2-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
CID 63030006
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide?
The IUPAC name of 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide (CID 63054736) is 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide?
The canonical SMILES for 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide is CCCNC(CCN(C)C(C)CCC)C(N)=O.
What is the InChIKey of 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide?
The InChIKey is HRYCMYCBWUEINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-7-11(3)16(4)10-8-12(13(14)17)15-9-6-2/h11-12,15H,5-10H2,1-4H3,(H2,14,17).
What are the key properties of 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide?
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide is sourced from PubChem (CID 63054736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).