N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C13H26N2 — CID 81296505

IUPACN-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(CC)NC1CCN2CCCC2C1
InChIInChI=1S/C13H26N2/c1-3-11(4-2)14-12-7-9-15-8-5-6-13(15)10-12/h11-14H,3-10H2,1-2H3
InChIKeyAMBGMZFHRRFJPT-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds4

About N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81296505) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81296505
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(CC)NC1CCN2CCCC2C1
InChIInChI=1S/C13H26N2/c1-3-11(4-2)14-12-7-9-15-8-5-6-13(15)10-12/h11-14H,3-10H2,1-2H3
InChIKeyAMBGMZFHRRFJPT-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81296505) is N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CCC(CC)NC1CCN2CCCC2C1.
What is the InChIKey of N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is AMBGMZFHRRFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-11(4-2)14-12-7-9-15-8-5-6-13(15)10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81296505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).