1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide

C12H22N4O — CID 107499699

IUPAC1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCN)cn1)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-9(12(2,3)4)15-11(17)10-7-16(6-5-13)8-14-10/h7-9H,5-6,13H2,1-4H3,(H,15,17)
InChIKeyJCOCBDDHUNQJHA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.01
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 107499699) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
PubChem CID107499699
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCN)cn1)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-9(12(2,3)4)15-11(17)10-7-16(6-5-13)8-14-10/h7-9H,5-6,13H2,1-4H3,(H,15,17)
InChIKeyJCOCBDDHUNQJHA-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)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

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
methyl (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylpentanoate
CID 107499600
6-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 107498996
1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612
1-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-carboxamide
CID 114158942
1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide
CID 106388320
1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide
CID 107497624
1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
CID 107496824
(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid
CID 107497570

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide (CID 107499699) is 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide is CC(NC(=O)c1cn(CCN)cn1)C(C)(C)C.
What is the InChIKey of 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is JCOCBDDHUNQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(12(2,3)4)15-11(17)10-7-16(6-5-13)8-14-10/h7-9H,5-6,13H2,1-4H3,(H,15,17).
What are the key properties of 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107499699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).