N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide

C13H22N4O — CID 79401326

IUPACN-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
SMILESCCCNCc1cncn1CCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-2-6-14-8-12-9-15-10-17(12)7-5-13(18)16-11-3-4-11/h9-11,14H,2-8H2,1H3,(H,16,18)
InChIKeyAAMBNLGIJPREFI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.05
Rot. Bonds8

About N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide

N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide (PubChem CID 79401326) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
PubChem CID79401326
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
SMILESCCCNCc1cncn1CCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-2-6-14-8-12-9-15-10-17(12)7-5-13(18)16-11-3-4-11/h9-11,14H,2-8H2,1H3,(H,16,18)
InChIKeyAAMBNLGIJPREFI-UHFFFAOYSA-N
XLogP1.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide 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 N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide (CID 79401326) is N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide is CCCNCc1cncn1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
The InChIKey is AAMBNLGIJPREFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-6-14-8-12-9-15-10-17(12)7-5-13(18)16-11-3-4-11/h9-11,14H,2-8H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 79401326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).