1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide

C14H22N4O2 — CID 107497323

IUPAC1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C14H22N4O2/c15-4-5-17-8-13(16-10-17)14(19)18(12-1-2-12)7-11-3-6-20-9-11/h8,10-12H,1-7,9,15H2
InChIKeyYOUABQPTTWXLIB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds6

About 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide (PubChem CID 107497323) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide
PubChem CID107497323
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C14H22N4O2/c15-4-5-17-8-13(16-10-17)14(19)18(12-1-2-12)7-11-3-6-20-9-11/h8,10-12H,1-7,9,15H2
InChIKeyYOUABQPTTWXLIB-UHFFFAOYSA-N
XLogP0.48
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide (CID 107497323) is 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)N(CC2CCOC2)C2CC2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide?
The InChIKey is YOUABQPTTWXLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-4-5-17-8-13(16-10-17)14(19)18(12-1-2-12)7-11-3-6-20-9-11/h8,10-12H,1-7,9,15H2.
What are the key properties of 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107497323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).