(3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride

C14H26ClN — CID 18602170

IUPAC(3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
SMILESC1CCC([C@H]2CC[C@H]3CCCCN32)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/t13-,14-;/m1./s1
InChIKeyBKDCPIYMBAODRS-DTPOWOMPSA-N
MW243.82 g/mol
LogP4.01
Rot. Bonds1

About (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride

(3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride (PubChem CID 18602170) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride.

Molecular Properties

Compound Name(3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
PubChem CID18602170
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC Name(3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
SMILESC1CCC([C@H]2CC[C@H]3CCCCN32)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/t13-,14-;/m1./s1
InChIKeyBKDCPIYMBAODRS-DTPOWOMPSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
The IUPAC name of (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride (CID 18602170) is (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride.
What is the SMILES notation for (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
The canonical SMILES for (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride is C1CCC([C@H]2CC[C@H]3CCCCN32)CC1.Cl.
What is the InChIKey of (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
The InChIKey is BKDCPIYMBAODRS-DTPOWOMPSA-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/t13-,14-;/m1./s1.
What are the key properties of (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride?
(3R,8aR)-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 (3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride is sourced from PubChem (CID 18602170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).