2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide

C13H27N3O — CID 78977398

IUPAC2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide
SMILESCC(C)CCN(CCC(C)(N)C(N)=O)C1CC1
InChIInChI=1S/C13H27N3O/c1-10(2)6-8-16(11-4-5-11)9-7-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyRWVAZLWAJVOZQG-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.09
Rot. Bonds8

About 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide

2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide (PubChem CID 78977398) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide
PubChem CID78977398
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide
SMILESCC(C)CCN(CCC(C)(N)C(N)=O)C1CC1
InChIInChI=1S/C13H27N3O/c1-10(2)6-8-16(11-4-5-11)9-7-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyRWVAZLWAJVOZQG-UHFFFAOYSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide 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

methyl 2-amino-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanoate
CID 78977512
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide?
The IUPAC name of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide (CID 78977398) is 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide.
What is the SMILES notation for 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide?
The canonical SMILES for 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide is CC(C)CCN(CCC(C)(N)C(N)=O)C1CC1.
What is the InChIKey of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide?
The InChIKey is RWVAZLWAJVOZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)6-8-16(11-4-5-11)9-7-13(3,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17).
What are the key properties of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide?
2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide is sourced from PubChem (CID 78977398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).