N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C15H30N2 — CID 79690836

IUPACN-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCCC(CCC)NC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2/c1-3-6-13(7-4-2)16-14-9-11-17-10-5-8-15(17)12-14/h13-16H,3-12H2,1-2H3
InChIKeyHCAAJQCXJJCKEC-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds6

About N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 79690836) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID79690836
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCCC(CCC)NC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2/c1-3-6-13(7-4-2)16-14-9-11-17-10-5-8-15(17)12-14/h13-16H,3-12H2,1-2H3
InChIKeyHCAAJQCXJJCKEC-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 79690836) is N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CCCC(CCC)NC1CCN2CCCC2C1.
What is the InChIKey of N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is HCAAJQCXJJCKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-6-13(7-4-2)16-14-9-11-17-10-5-8-15(17)12-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 79690836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).