[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol

C15H28N2O — CID 114178522

IUPAC[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NC1CCN2CCCCC12
InChIInChI=1S/C15H28N2O/c18-11-12-5-1-2-6-13(12)16-14-8-10-17-9-4-3-7-15(14)17/h12-16,18H,1-11H2
InChIKeyDREKWTLJJCEHJG-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.75
Rot. Bonds3

About [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol

[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol (PubChem CID 114178522) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol
PubChem CID114178522
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NC1CCN2CCCCC12
InChIInChI=1S/C15H28N2O/c18-11-12-5-1-2-6-13(12)16-14-8-10-17-9-4-3-7-15(14)17/h12-16,18H,1-11H2
InChIKeyDREKWTLJJCEHJG-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol
CID 102733298
[(2S)-2-(azetidin-1-yl)cyclohexyl]methanol
CID 58117124
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307
[2-(azepan-1-yl)cyclopentyl]methanol
CID 106364698
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile
CID 62741172
2-[[2-(hydroxymethyl)cyclohexyl]amino]cycloheptan-1-ol
CID 106361103
2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
CID 106361174
[2-[[2-(aminomethyl)cyclopentyl]amino]cyclohexyl]methanol
CID 106359831
N-(2-methoxycyclohexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792646
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide
CID 106171487

Frequently Asked Questions

What is the IUPAC name of [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol?
The IUPAC name of [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol (CID 114178522) is [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol is OCC1CCCCC1NC1CCN2CCCCC12.
What is the InChIKey of [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol?
The InChIKey is DREKWTLJJCEHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-11-12-5-1-2-6-13(12)16-14-8-10-17-9-4-3-7-15(14)17/h12-16,18H,1-11H2.
What are the key properties of [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol?
[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol has a molecular weight of 252.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 114178522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).