3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide

C13H26N2O — CID 83141491

IUPAC3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
SMILESCC(CNC(=O)CC(N)C1CC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(13(2,3)4)8-15-12(16)7-11(14)10-5-6-10/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyHBOFXNFDJVVOCR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds5

About 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide

3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide (PubChem CID 83141491) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
PubChem CID83141491
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
SMILESCC(CNC(=O)CC(N)C1CC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(13(2,3)4)8-15-12(16)7-11(14)10-5-6-10/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyHBOFXNFDJVVOCR-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)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

5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid
CID 82689472
3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106148074
3-amino-3-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 114150174
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369
2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
CID 83146431
3-amino-3-cyclopropyl-N',N'-dimethylpropanehydrazide
CID 83020966
3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide
CID 106841999
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
1-amino-1-cyclopropyl-5-methylhexan-3-one
CID 116608690

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide (CID 83141491) is 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide is CC(CNC(=O)CC(N)C1CC1)C(C)(C)C.
What is the InChIKey of 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide?
The InChIKey is HBOFXNFDJVVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(13(2,3)4)8-15-12(16)7-11(14)10-5-6-10/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide?
3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide is sourced from PubChem (CID 83141491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).