N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide

C12H22N4O — CID 81257585

IUPACN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)n1ccnc1
InChIInChI=1S/C12H22N4O/c1-11(2)9-15(8-7-14(3)4)12(17)16-6-5-13-10-16/h5-6,10-11H,7-9H2,1-4H3
InChIKeyAYRICWNJXZZVEO-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide

N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide (PubChem CID 81257585) has the molecular formula C12H22N4O and a molecular weight of 238.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide
PubChem CID81257585
Molecular FormulaC12H22N4O
Molecular Weight238.34 g/mol
Exact Mass238.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)n1ccnc1
InChIInChI=1S/C12H22N4O/c1-11(2)9-15(8-7-14(3)4)12(17)16-6-5-13-10-16/h5-6,10-11H,7-9H2,1-4H3
InChIKeyAYRICWNJXZZVEO-UHFFFAOYSA-N
XLogP1.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide (CID 81257585) is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide is CC(C)CN(CCN(C)C)C(=O)n1ccnc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide?
The InChIKey is AYRICWNJXZZVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2)9-15(8-7-14(3)4)12(17)16-6-5-13-10-16/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide has a molecular weight of 238.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).