N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide

C10H18N4O — CID 107971794

IUPACN,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide
SMILESCNCCCN(C)C(=O)c1cn(C)cn1
InChIInChI=1S/C10H18N4O/c1-11-5-4-6-14(3)10(15)9-7-13(2)8-12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyBEJXJISSZYXUII-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.10
Rot. Bonds5

About N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide

N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide (PubChem CID 107971794) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide
PubChem CID107971794
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide
SMILESCNCCCN(C)C(=O)c1cn(C)cn1
InChIInChI=1S/C10H18N4O/c1-11-5-4-6-14(3)10(15)9-7-13(2)8-12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyBEJXJISSZYXUII-UHFFFAOYSA-N
XLogP0.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide 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

methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate
CID 103858595
N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107973093
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
CID 107970800
N-(3-azidopropyl)-1-methylimidazole-4-carboxamide
CID 107974564
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide
CID 103803952
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
CID 134372971
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide (CID 107971794) is N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide is CNCCCN(C)C(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide?
The InChIKey is BEJXJISSZYXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-11-5-4-6-14(3)10(15)9-7-13(2)8-12-9/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide?
N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 107971794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).