N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide

C13H20N4O — CID 79394815

IUPACN-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
SMILESO=C(CCNCc1cncn1C1CC1)NC1CC1
InChIInChI=1S/C13H20N4O/c18-13(16-10-1-2-10)5-6-14-7-12-8-15-9-17(12)11-3-4-11/h8-11,14H,1-7H2,(H,16,18)
InChIKeyCXIRCQYSRQVMQS-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds7

About N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide

N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide (PubChem CID 79394815) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
PubChem CID79394815
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
SMILESO=C(CCNCc1cncn1C1CC1)NC1CC1
InChIInChI=1S/C13H20N4O/c18-13(16-10-1-2-10)5-6-14-7-12-8-15-9-17(12)11-3-4-11/h8-11,14H,1-7H2,(H,16,18)
InChIKeyCXIRCQYSRQVMQS-UHFFFAOYSA-N
XLogP0.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
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-[(3-cyclopropylimidazol-4-yl)methylamino]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

3-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylpropanamide
CID 113409676
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
CID 83109168
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide
CID 66140791
N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
CID 79400872
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 114126843
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
CID 106334710
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
CID 114331505

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide (CID 79394815) is N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide is O=C(CCNCc1cncn1C1CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide?
The InChIKey is CXIRCQYSRQVMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(16-10-1-2-10)5-6-14-7-12-8-15-9-17(12)11-3-4-11/h8-11,14H,1-7H2,(H,16,18).
What are the key properties of N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide?
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 79394815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).