cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone

C16H27NO — CID 106652019

IUPACcyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone
SMILESCC1CCCC(C(=O)C2=CCCCC2)(N(C)C)C1
InChIInChI=1S/C16H27NO/c1-13-8-7-11-16(12-13,17(2)3)15(18)14-9-5-4-6-10-14/h9,13H,4-8,10-12H2,1-3H3
InChIKeyXBBNQEWFJXMMDS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.57
Rot. Bonds3

About cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone

cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone (PubChem CID 106652019) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone
PubChem CID106652019
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Namecyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone
SMILESCC1CCCC(C(=O)C2=CCCCC2)(N(C)C)C1
InChIInChI=1S/C16H27NO/c1-13-8-7-11-16(12-13,17(2)3)15(18)14-9-5-4-6-10-14/h9,13H,4-8,10-12H2,1-3H3
InChIKeyXBBNQEWFJXMMDS-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
The IUPAC name of cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone (CID 106652019) is cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone.
What is the SMILES notation for cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
The canonical SMILES for cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone is CC1CCCC(C(=O)C2=CCCCC2)(N(C)C)C1.
What is the InChIKey of cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
The InChIKey is XBBNQEWFJXMMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-8-7-11-16(12-13,17(2)3)15(18)14-9-5-4-6-10-14/h9,13H,4-8,10-12H2,1-3H3.
What are the key properties of cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone has a molecular weight of 249.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone is sourced from PubChem (CID 106652019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).