3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide

C13H26N2O — CID 115724442

IUPAC3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
SMILESCCC(NC(C)CC(=O)NC(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-5-12(11-6-7-11)15-10(4)8-13(16)14-9(2)3/h9-12,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyLOMHLOLWSSJJLI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds7

About 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide

3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide (PubChem CID 115724442) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
PubChem CID115724442
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
SMILESCCC(NC(C)CC(=O)NC(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-5-12(11-6-7-11)15-10(4)8-13(16)14-9(2)3/h9-12,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyLOMHLOLWSSJJLI-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide 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 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide (CID 115724442) is 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide is CCC(NC(C)CC(=O)NC(C)C)C1CC1.
What is the InChIKey of 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide?
The InChIKey is LOMHLOLWSSJJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-12(11-6-7-11)15-10(4)8-13(16)14-9(2)3/h9-12,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide?
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 115724442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).