1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide

C12H22N4O — CID 107498076

IUPAC1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H22N4O/c1-12(2,3)8-15(4)11(17)10-7-16(6-5-13)9-14-10/h7,9H,5-6,8,13H2,1-4H3
InChIKeyLBFDXBWLDGHBAG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds4

About 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide

1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide (PubChem CID 107498076) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
PubChem CID107498076
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H22N4O/c1-12(2,3)8-15(4)11(17)10-7-16(6-5-13)9-14-10/h7,9H,5-6,8,13H2,1-4H3
InChIKeyLBFDXBWLDGHBAG-UHFFFAOYSA-N
XLogP0.96
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide (CID 107498076) is 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide is CN(CC(C)(C)C)C(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide?
The InChIKey is LBFDXBWLDGHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)8-15(4)11(17)10-7-16(6-5-13)9-14-10/h7,9H,5-6,8,13H2,1-4H3.
What are the key properties of 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 107498076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).