2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide

C12H25N3O — CID 76979692

IUPAC2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
SMILESCN(CCNC(=O)C(N)C(C)(C)C)C1CC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)10(13)11(16)14-7-8-15(4)9-5-6-9/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyCCCFOJNSTSSPGW-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide (PubChem CID 76979692) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
PubChem CID76979692
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
SMILESCN(CCNC(=O)C(N)C(C)(C)C)C1CC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)10(13)11(16)14-7-8-15(4)9-5-6-9/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyCCCFOJNSTSSPGW-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide 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)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
2-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbutanamide
CID 55139681
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;dihydrochloride
CID 119863852
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide (CID 76979692) is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide is CN(CCNC(=O)C(N)C(C)(C)C)C1CC1.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide?
The InChIKey is CCCFOJNSTSSPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)10(13)11(16)14-7-8-15(4)9-5-6-9/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide?
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76979692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).