ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone

C15H29NO2 — CID 156828920

IUPACethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone
SMILESCC.CC(C)C1CN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C13H23NO2.C2H6/c1-9(2)11-7-14(8-11)13(16)10-3-5-12(15)6-4-10;1-2/h9-12,15H,3-8H2,1-2H3;1-2H3
InChIKeyVCUOAOIJSMQZRM-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.68
Rot. Bonds2

About ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone

ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 156828920) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Nameethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone
PubChem CID156828920
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone
SMILESCC.CC(C)C1CN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C13H23NO2.C2H6/c1-9(2)11-7-14(8-11)13(16)10-3-5-12(15)6-4-10;1-2/h9-12,15H,3-8H2,1-2H3;1-2H3
InChIKeyVCUOAOIJSMQZRM-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
(3S,4S)-4-methyl-1-(4-propan-2-ylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 120952125
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
CID 168882604
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
CID 98265692
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245

Frequently Asked Questions

What is the IUPAC name of ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone (CID 156828920) is ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone is CC.CC(C)C1CN(C(=O)C2CCC(O)CC2)C1.
What is the InChIKey of ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is VCUOAOIJSMQZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C2H6/c1-9(2)11-7-14(8-11)13(16)10-3-5-12(15)6-4-10;1-2/h9-12,15H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone?
ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 255.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 156828920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).