1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide

C14H23N5O — CID 107499437

IUPAC1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NC2CCN3CCCC3C2)c1
InChIInChI=1S/C14H23N5O/c15-4-7-18-9-13(16-10-18)14(20)17-11-3-6-19-5-1-2-12(19)8-11/h9-12H,1-8,15H2,(H,17,20)
InChIKeyBQOPYCIODQAFIU-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.20
Rot. Bonds4

About 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide (PubChem CID 107499437) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide
PubChem CID107499437
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NC2CCN3CCCC3C2)c1
InChIInChI=1S/C14H23N5O/c15-4-7-18-9-13(16-10-18)14(20)17-11-3-6-19-5-1-2-12(19)8-11/h9-12H,1-8,15H2,(H,17,20)
InChIKeyBQOPYCIODQAFIU-UHFFFAOYSA-N
XLogP0.20
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide with MolForge

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Related Compounds

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 107497522
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CID 107498238
1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
CID 107496221
1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
CID 107496671
1-(2-aminoethyl)-N-(2-ethylcyclohexyl)imidazole-4-carboxamide
CID 107496463
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dihydroxybenzamide
CID 103890321
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
CID 113225212
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dichloropyridine-4-carboxamide
CID 112731766
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5,6-dichloropyridine-3-carboxamide
CID 78968147
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
methyl 1-[1-(2-aminoethyl)imidazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 107496963
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
CID 115460242

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide (CID 107499437) is 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide is NCCn1cnc(C(=O)NC2CCN3CCCC3C2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide?
The InChIKey is BQOPYCIODQAFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-4-7-18-9-13(16-10-18)14(20)17-11-3-6-19-5-1-2-12(19)8-11/h9-12H,1-8,15H2,(H,17,20).
What are the key properties of 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).