1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine

C14H24N4 — CID 106567867

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C1CCN2CCCCC12
InChIInChI=1S/C14H24N4/c1-2-7-15-14-16-8-11-18(14)13-6-10-17-9-4-3-5-12(13)17/h8,11-13H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyYMZSWPPOIPSQRW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds4

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine (PubChem CID 106567867) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
PubChem CID106567867
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C1CCN2CCCCC12
InChIInChI=1S/C14H24N4/c1-2-7-15-14-16-8-11-18(14)13-6-10-17-9-4-3-5-12(13)17/h8,11-13H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyYMZSWPPOIPSQRW-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N-methylimidazol-2-amine
CID 106566144
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
CID 106559035
N-butyl-1-(2-methylcyclohexyl)imidazol-2-amine
CID 106558945
N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
CID 106572877
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine
CID 106566157
1-cyclopentyl-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565073
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467
N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62133315

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine (CID 106567867) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine is CCCNc1nccn1C1CCN2CCCCC12.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine?
The InChIKey is YMZSWPPOIPSQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-7-15-14-16-8-11-18(14)13-6-10-17-9-4-3-5-12(13)17/h8,11-13H,2-7,9-10H2,1H3,(H,15,16).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine is sourced from PubChem (CID 106567867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).