1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide

C15H26N4O — CID 107497382

IUPAC1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C15H26N4O/c1-3-12-4-6-13(7-5-12)18(2)15(20)14-10-19(9-8-16)11-17-14/h10-13H,3-9,16H2,1-2H3
InChIKeyBIIRMSUXEQSTAB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.88
Rot. Bonds5

About 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide

1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide (PubChem CID 107497382) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
PubChem CID107497382
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C15H26N4O/c1-3-12-4-6-13(7-5-12)18(2)15(20)14-10-19(9-8-16)11-17-14/h10-13H,3-9,16H2,1-2H3
InChIKeyBIIRMSUXEQSTAB-UHFFFAOYSA-N
XLogP1.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.88
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-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide (CID 107497382) is 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide is CCC1CCC(N(C)C(=O)c2cn(CCN)cn2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide?
The InChIKey is BIIRMSUXEQSTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-12-4-6-13(7-5-12)18(2)15(20)14-10-19(9-8-16)11-17-14/h10-13H,3-9,16H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide?
1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 107497382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).