3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one

C14H27NO — CID 66452296

IUPAC3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
SMILESCC(=O)C(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C14H27NO/c1-11-8-6-7-9-13(11)15(5)10-14(3,4)12(2)16/h11,13H,6-10H2,1-5H3
InChIKeyYNIJPAFPNLAHBS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds4

About 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one

3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one (PubChem CID 66452296) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
PubChem CID66452296
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
SMILESCC(=O)C(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C14H27NO/c1-11-8-6-7-9-13(11)15(5)10-14(3,4)12(2)16/h11,13H,6-10H2,1-5H3
InChIKeyYNIJPAFPNLAHBS-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 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one?
The IUPAC name of 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one (CID 66452296) is 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one?
The canonical SMILES for 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one is CC(=O)C(C)(C)CN(C)C1CCCCC1C.
What is the InChIKey of 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one?
The InChIKey is YNIJPAFPNLAHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-8-6-7-9-13(11)15(5)10-14(3,4)12(2)16/h11,13H,6-10H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one?
3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-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 3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one is sourced from PubChem (CID 66452296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).