4-amino-3-[butan-2-yl(methyl)amino]butanamide

C9H21N3O — CID 66426678

IUPAC4-amino-3-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)C(CN)CC(N)=O
InChIInChI=1S/C9H21N3O/c1-4-7(2)12(3)8(6-10)5-9(11)13/h7-8H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyCSHWGVOOVGJQOS-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.08
Rot. Bonds6

About 4-amino-3-[butan-2-yl(methyl)amino]butanamide

4-amino-3-[butan-2-yl(methyl)amino]butanamide (PubChem CID 66426678) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(methyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(methyl)amino]butanamide
PubChem CID66426678
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name4-amino-3-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)C(CN)CC(N)=O
InChIInChI=1S/C9H21N3O/c1-4-7(2)12(3)8(6-10)5-9(11)13/h7-8H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyCSHWGVOOVGJQOS-UHFFFAOYSA-N
XLogP-0.08
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-[butan-2-yl(methyl)amino]butanamide 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 4-amino-3-[butan-2-yl(methyl)amino]butanamide?
The IUPAC name of 4-amino-3-[butan-2-yl(methyl)amino]butanamide (CID 66426678) is 4-amino-3-[butan-2-yl(methyl)amino]butanamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(methyl)amino]butanamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(methyl)amino]butanamide is CCC(C)N(C)C(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-[butan-2-yl(methyl)amino]butanamide?
The InChIKey is CSHWGVOOVGJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-7(2)12(3)8(6-10)5-9(11)13/h7-8H,4-6,10H2,1-3H3,(H2,11,13).
What are the key properties of 4-amino-3-[butan-2-yl(methyl)amino]butanamide?
4-amino-3-[butan-2-yl(methyl)amino]butanamide has a molecular weight of 187.29 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butan-2-yl(methyl)amino]butanamide is sourced from PubChem (CID 66426678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).