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

C16H30N2 — CID 43694307

IUPACN-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CCCC(NC2CCN3CCCCC23)CCC1
InChIInChI=1S/C16H30N2/c1-2-4-8-14(9-5-3-1)17-15-11-13-18-12-7-6-10-16(15)18/h14-17H,1-13H2
InChIKeyBIHQGZWVNKITEY-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.32
Rot. Bonds2

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

N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43694307) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43694307
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CCCC(NC2CCN3CCCCC23)CCC1
InChIInChI=1S/C16H30N2/c1-2-4-8-14(9-5-3-1)17-15-11-13-18-12-7-6-10-16(15)18/h14-17H,1-13H2
InChIKeyBIHQGZWVNKITEY-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyloctahydropyrrolo(1,2-a)pyrazine
CID 44827712
Octahydroindolizin-7-amine
CID 21988494
Octahydroindolizin-1-amine
CID 43810752
Octahydroindolizin-2-amine
CID 54593182
4-methyl-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 59170708
rac-(3aR,7aR)-1-methyl-octahydro-1H-pyrrolo(3,2-b)pyridine
CID 92845000
rac-(8R,8aS)-octahydroindolizin-8-amine
CID 96637185
(Octahydroindolizin-5-yl)methanamine
CID 126970906
3-Butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 76194678
Octahydro-1H-pyrrolo[3,2-B]pyridine
CID 58044710
trans-1,2,3,5,6,7,8,8a-Octahydroindolizin-8-amine
CID 82418154
N-(2,2-difluoroethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 61514889

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43694307) is N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is C1CCCC(NC2CCN3CCCCC23)CCC1.
What is the InChIKey of N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is BIHQGZWVNKITEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-4-8-14(9-5-3-1)17-15-11-13-18-12-7-6-10-16(15)18/h14-17H,1-13H2.
What are the key properties of N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43694307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).