[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol

C13H25NO — CID 104550772

IUPAC[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC1(C)CN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C13H25NO/c1-12(2)8-14(9-12)10-13(11-15)6-4-3-5-7-13/h15H,3-11H2,1-2H3
InChIKeyYIGVZBDZVZIURW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds3

About [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol

[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol (PubChem CID 104550772) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol
PubChem CID104550772
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC1(C)CN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C13H25NO/c1-12(2)8-14(9-12)10-13(11-15)6-4-3-5-7-13/h15H,3-11H2,1-2H3
InChIKeyYIGVZBDZVZIURW-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
CID 104550634
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol
CID 103358661
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-4-methylpiperidin-4-ol
CID 81115505
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226563
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
CID 62270732
[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 55055320
[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 62264791
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-3,4-diol
CID 106674244

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol (CID 104550772) is [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol is CC1(C)CN(CC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is YIGVZBDZVZIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)8-14(9-12)10-13(11-15)6-4-3-5-7-13/h15H,3-11H2,1-2H3.
What are the key properties of [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol?
[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 104550772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).