[1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol

C13H25NO — CID 104549543

IUPAC[1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol
SMILESCCC1CN(C2(CO)CCCC(C)C2)C1
InChIInChI=1S/C13H25NO/c1-3-12-8-14(9-12)13(10-15)6-4-5-11(2)7-13/h11-12,15H,3-10H2,1-2H3
InChIKeyZYMDTFGMRKULOU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds3

About [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol

[1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol (PubChem CID 104549543) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol
PubChem CID104549543
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol
SMILESCCC1CN(C2(CO)CCCC(C)C2)C1
InChIInChI=1S/C13H25NO/c1-3-12-8-14(9-12)13(10-15)6-4-5-11(2)7-13/h11-12,15H,3-10H2,1-2H3
InChIKeyZYMDTFGMRKULOU-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

3-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 62525353
[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
CID 104549467
1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one
CID 104549525
2-[3-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65421643
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64526836
[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
CID 64513850
[1-(2-ethylpyrrolidin-1-yl)-3-methylcyclohexyl]methanamine
CID 60974436
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
CID 79074454
[3-ethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392860

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol (CID 104549543) is [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol is CCC1CN(C2(CO)CCCC(C)C2)C1.
What is the InChIKey of [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol?
The InChIKey is ZYMDTFGMRKULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-12-8-14(9-12)13(10-15)6-4-5-11(2)7-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of [1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol?
[1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]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-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 104549543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).