1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide

C12H22N4O2 — CID 107499326

IUPAC1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H22N4O2/c1-10(2)18-7-6-15(3)12(17)11-8-16(5-4-13)9-14-11/h8-10H,4-7,13H2,1-3H3
InChIKeyGKITXTAFCVYDJX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.34
Rot. Bonds7

About 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide (PubChem CID 107499326) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
PubChem CID107499326
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H22N4O2/c1-10(2)18-7-6-15(3)12(17)11-8-16(5-4-13)9-14-11/h8-10H,4-7,13H2,1-3H3
InChIKeyGKITXTAFCVYDJX-UHFFFAOYSA-N
XLogP0.34
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)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 3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-methylamino]-2-methylpropanoate
CID 107497281
1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
CID 107496920
1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
CID 107495803
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
CID 107496849
1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499337
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 107498349
1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
CID 107498649
N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
CID 80710112
1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
CID 107498391
1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 107496986
2-[4-[methyl(2-propan-2-yloxyethyl)carbamoyl]triazol-1-yl]acetic acid
CID 81062076

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide (CID 107499326) is 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide is CC(C)OCCN(C)C(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide?
The InChIKey is GKITXTAFCVYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(2)18-7-6-15(3)12(17)11-8-16(5-4-13)9-14-11/h8-10H,4-7,13H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107499326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).