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

C15H30N2 — CID 43694367

IUPACN-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)CCC(C)NC1CCN2CCCCC12
InChIInChI=1S/C15H30N2/c1-12(2)7-8-13(3)16-14-9-11-17-10-5-4-6-15(14)17/h12-16H,4-11H2,1-3H3
InChIKeyGJTUXEGDWYLJMY-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

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

N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43694367) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43694367
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)CCC(C)NC1CCN2CCCCC12
InChIInChI=1S/C15H30N2/c1-12(2)7-8-13(3)16-14-9-11-17-10-5-4-6-15(14)17/h12-16H,4-11H2,1-3H3
InChIKeyGJTUXEGDWYLJMY-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43694367) is N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(C)CCC(C)NC1CCN2CCCCC12.
What is the InChIKey of N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is GJTUXEGDWYLJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)7-8-13(3)16-14-9-11-17-10-5-4-6-15(14)17/h12-16H,4-11H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43694367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).