N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide

C11H20N4O — CID 106037947

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
SMILESCC(C)N(C)CCCNC(=O)n1ccnc1
InChIInChI=1S/C11H20N4O/c1-10(2)14(3)7-4-5-13-11(16)15-8-6-12-9-15/h6,8-10H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyGMZWUKXWJHSIMA-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.17
Rot. Bonds5

About N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide

N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide (PubChem CID 106037947) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
PubChem CID106037947
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
SMILESCC(C)N(C)CCCNC(=O)n1ccnc1
InChIInChI=1S/C11H20N4O/c1-10(2)14(3)7-4-5-13-11(16)15-8-6-12-9-15/h6,8-10H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyGMZWUKXWJHSIMA-UHFFFAOYSA-N
XLogP1.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide 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-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide (CID 106037947) is N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide is CC(C)N(C)CCCNC(=O)n1ccnc1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide?
The InChIKey is GMZWUKXWJHSIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10(2)14(3)7-4-5-13-11(16)15-8-6-12-9-15/h6,8-10H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide?
N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide is sourced from PubChem (CID 106037947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).