N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C15H26N4 — CID 106578356

IUPACN-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCCn1cc(C)nc1NC1CCN2CCCC2C1
InChIInChI=1S/C15H26N4/c1-3-7-19-11-12(2)16-15(19)17-13-6-9-18-8-4-5-14(18)10-13/h11,13-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyUPIYEZVMRJTTGK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds4

About N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 106578356) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID106578356
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCCn1cc(C)nc1NC1CCN2CCCC2C1
InChIInChI=1S/C15H26N4/c1-3-7-19-11-12(2)16-15(19)17-13-6-9-18-8-4-5-14(18)10-13/h11,13-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyUPIYEZVMRJTTGK-UHFFFAOYSA-N
XLogP2.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 106578356) is N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CCCn1cc(C)nc1NC1CCN2CCCC2C1.
What is the InChIKey of N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is UPIYEZVMRJTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-7-19-11-12(2)16-15(19)17-13-6-9-18-8-4-5-14(18)10-13/h11,13-14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 262.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 106578356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).