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

C14H28N2 — CID 43694212

IUPACN-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCCC(C)CNC1CCN2CCCCC12
InChIInChI=1S/C14H28N2/c1-3-6-12(2)11-15-13-8-10-16-9-5-4-7-14(13)16/h12-15H,3-11H2,1-2H3
InChIKeyOFFMQVYBVSMCLI-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

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

N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43694212) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43694212
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCCC(C)CNC1CCN2CCCCC12
InChIInChI=1S/C14H28N2/c1-3-6-12(2)11-15-13-8-10-16-9-5-4-7-14(13)16/h12-15H,3-11H2,1-2H3
InChIKeyOFFMQVYBVSMCLI-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43694212) is N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CCCC(C)CNC1CCN2CCCCC12.
What is the InChIKey of N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is OFFMQVYBVSMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-6-12(2)11-15-13-8-10-16-9-5-4-7-14(13)16/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43694212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).