1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone

C14H25NO — CID 153162082

IUPAC1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone
SMILESCC(C)N1CC(CC(=O)C2CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-11(2)15-9-12(10-15)8-14(16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3
InChIKeyWCOBYBJVUDIAES-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds4

About 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone

1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone (PubChem CID 153162082) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone
PubChem CID153162082
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone
SMILESCC(C)N1CC(CC(=O)C2CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-11(2)15-9-12(10-15)8-14(16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3
InChIKeyWCOBYBJVUDIAES-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(Propan-2-yl)azetidin-1-yl]cyclohexan-1-one
CID 79671609
4-(Azetidin-1-yl)-4-methylcyclohexan-1-one
CID 132327795
(1S,6R,8R)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 130753076
(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 131135580
3-(1-Methylpyrrolidin-2-yl)cyclohexan-1-one
CID 10866954
2-[2-(Dimethylamino)ethyl]cyclohexan-1-one
CID 12757854
2-(1-Methylpiperidin-2-yl)cyclohexan-1-one
CID 15487527
2-[1-(Dimethylamino)ethyl]cyclohexan-1-one
CID 20215449
1-(1,4-Dimethylpiperidin-2-yl)propan-2-one
CID 20707861
2,6-Bis[1-(dimethylamino)ethyl]cyclohexan-1-one
CID 21512909
1-[2-(Dimethylamino)cyclohexyl]ethanone
CID 23531868
2,6-Bis[2-(dimethylamino)ethyl]cyclohexan-1-one
CID 53689331

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone (CID 153162082) is 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone is CC(C)N1CC(CC(=O)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone?
The InChIKey is WCOBYBJVUDIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)15-9-12(10-15)8-14(16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone?
1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone has a molecular weight of 223.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone is sourced from PubChem (CID 153162082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).