[2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol

C14H27NO — CID 104550225

IUPAC[2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC(C)C1CN(CC2CCCCC2CO)C1
InChIInChI=1S/C14H27NO/c1-11(2)14-8-15(9-14)7-12-5-3-4-6-13(12)10-16/h11-14,16H,3-10H2,1-2H3
InChIKeyXLVVRFSEFMQXHG-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.37
Rot. Bonds4

About [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol

[2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol (PubChem CID 104550225) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol
PubChem CID104550225
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC(C)C1CN(CC2CCCCC2CO)C1
InChIInChI=1S/C14H27NO/c1-11(2)14-8-15(9-14)7-12-5-3-4-6-13(12)10-16/h11-14,16H,3-10H2,1-2H3
InChIKeyXLVVRFSEFMQXHG-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 104550202
[2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentyl]methanol
CID 104550180
1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629144
[2-(morpholin-4-ylmethyl)cyclopentyl]methanol
CID 104550188
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol
CID 141428112
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol
CID 134195557
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
CID 131175766
1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine
CID 130874854

Frequently Asked Questions

What is the IUPAC name of [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol (CID 104550225) is [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol is CC(C)C1CN(CC2CCCCC2CO)C1.
What is the InChIKey of [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is XLVVRFSEFMQXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)14-8-15(9-14)7-12-5-3-4-6-13(12)10-16/h11-14,16H,3-10H2,1-2H3.
What are the key properties of [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol?
[2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 104550225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).