2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one

C14H27NO — CID 79052296

IUPAC2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one
SMILESCCC(C)(C(=O)C1CCCC(C)C1)N(C)C
InChIInChI=1S/C14H27NO/c1-6-14(3,15(4)5)13(16)12-9-7-8-11(2)10-12/h11-12H,6-10H2,1-5H3
InChIKeyVFAPUEUOGVXPIV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds4

About 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one

2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one (PubChem CID 79052296) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one
PubChem CID79052296
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one
SMILESCCC(C)(C(=O)C1CCCC(C)C1)N(C)C
InChIInChI=1S/C14H27NO/c1-6-14(3,15(4)5)13(16)12-9-7-8-11(2)10-12/h11-12H,6-10H2,1-5H3
InChIKeyVFAPUEUOGVXPIV-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one (CID 79052296) is 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one is CCC(C)(C(=O)C1CCCC(C)C1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
The InChIKey is VFAPUEUOGVXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-14(3,15(4)5)13(16)12-9-7-8-11(2)10-12/h11-12H,6-10H2,1-5H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one is sourced from PubChem (CID 79052296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).