3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride

C14H26ClN — CID 23325361

IUPAC3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
SMILESC1CCC(C2CCC3CCCCN32)CC1.Cl
InChIInChI=1S/C14H25N.ClH/c1-2-6-12(7-3-1)14-10-9-13-8-4-5-11-15(13)14;/h12-14H,1-11H2;1H
InChIKeyBKDCPIYMBAODRS-UHFFFAOYSA-N
MW243.82 g/mol
LogP4.01
Rot. Bonds1

About 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride

3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride (PubChem CID 23325361) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
PubChem CID23325361
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC Name3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
SMILESC1CCC(C2CCC3CCCCN32)CC1.Cl
InChIInChI=1S/C14H25N.ClH/c1-2-6-12(7-3-1)14-10-9-13-8-4-5-11-15(13)14;/h12-14H,1-11H2;1H
InChIKeyBKDCPIYMBAODRS-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294
3-(1-cyclohexylpyrrolidin-2-yl)piperidine
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CID 139860262
2-cyclohexyl-1-cyclopentylpiperazine
CID 82936755
3-(2-cyclopentylpyrrolidin-1-yl)cyclopentan-1-ol
CID 79644193
(3S,5S)-5-[(3S,9aR)-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepin-3-yl]-3-methyloxolan-2-one
CID 11770498
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol
CID 102727888
1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750918
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
The IUPAC name of 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride (CID 23325361) is 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
The canonical SMILES for 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride is C1CCC(C2CCC3CCCCN32)CC1.Cl.
What is the InChIKey of 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
The InChIKey is BKDCPIYMBAODRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N.ClH/c1-2-6-12(7-3-1)14-10-9-13-8-4-5-11-15(13)14;/h12-14H,1-11H2;1H.
What are the key properties of 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride has a molecular weight of 243.82 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride is sourced from PubChem (CID 23325361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).