2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide

C14H31N3O — CID 54987708

IUPAC2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
SMILESCCN(CC(C)CN)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C14H31N3O/c1-6-17(10-12(4)9-15)13(5)14(18)16-8-7-11(2)3/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyRRSJLDFUNLTZPY-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.45
Rot. Bonds9

About 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide

2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide (PubChem CID 54987708) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
PubChem CID54987708
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
SMILESCCN(CC(C)CN)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C14H31N3O/c1-6-17(10-12(4)9-15)13(5)14(18)16-8-7-11(2)3/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyRRSJLDFUNLTZPY-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide 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-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
CID 113227840
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63758993
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-butylpropanamide
CID 54987379
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
3-[ethyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]-2-methylpropanoic acid
CID 62853681
2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63224789
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
1,3-bis(3-methylbutyl)urea
CID 22563958

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide (CID 54987708) is 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide is CCN(CC(C)CN)C(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is RRSJLDFUNLTZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-17(10-12(4)9-15)13(5)14(18)16-8-7-11(2)3/h11-13H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide?
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 257.42 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 54987708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).