[2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol

C16H31NO — CID 114179213

IUPAC[2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol
SMILESCCCC1(CCC)CN(C2CCCCC2CO)C1
InChIInChI=1S/C16H31NO/c1-3-9-16(10-4-2)12-17(13-16)15-8-6-5-7-14(15)11-18/h14-15,18H,3-13H2,1-2H3
InChIKeyJOEUWUKGCIXETA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds6

About [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol

[2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol (PubChem CID 114179213) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol
PubChem CID114179213
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol
SMILESCCCC1(CCC)CN(C2CCCCC2CO)C1
InChIInChI=1S/C16H31NO/c1-3-9-16(10-4-2)12-17(13-16)15-8-6-5-7-14(15)11-18/h14-15,18H,3-13H2,1-2H3
InChIKeyJOEUWUKGCIXETA-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(3,3-dipropylazetidin-1-yl)cyclohexan-1-amine
CID 102738924
[(2S)-2-(azetidin-1-yl)cyclohexyl]methanol
CID 58117124
[2-(2-azaspiro[3.5]nonan-2-yl)cyclohexyl]methanol
CID 114179212
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
[2-(3-ethylazetidin-1-yl)cyclopentyl]methanol
CID 106364703
[2-(azepan-1-yl)cyclopentyl]methanol
CID 106364698
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol
CID 105400820
1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione
CID 114179218
1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
CID 113483668
2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid
CID 79695676
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol?
The IUPAC name of [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol (CID 114179213) is [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol is CCCC1(CCC)CN(C2CCCCC2CO)C1.
What is the InChIKey of [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol?
The InChIKey is JOEUWUKGCIXETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-9-16(10-4-2)12-17(13-16)15-8-6-5-7-14(15)11-18/h14-15,18H,3-13H2,1-2H3.
What are the key properties of [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol?
[2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dipropylazetidin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 114179213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).