4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one

C17H33NO — CID 62612205

IUPAC4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCC(C)C(C)N(C)CC1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C17H33NO/c1-12(2)13(3)18(7)11-14-10-15(17(4,5)6)8-9-16(14)19/h12-15H,8-11H2,1-7H3
InChIKeyPLFRYIXUAAWXLK-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.99
Rot. Bonds4

About 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one

4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one (PubChem CID 62612205) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
PubChem CID62612205
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCC(C)C(C)N(C)CC1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C17H33NO/c1-12(2)13(3)18(7)11-14-10-15(17(4,5)6)8-9-16(14)19/h12-15H,8-11H2,1-7H3
InChIKeyPLFRYIXUAAWXLK-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one (CID 62612205) is 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one is CC(C)C(C)N(C)CC1CC(C(C)(C)C)CCC1=O.
What is the InChIKey of 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is PLFRYIXUAAWXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)13(3)18(7)11-14-10-15(17(4,5)6)8-9-16(14)19/h12-15H,8-11H2,1-7H3.
What are the key properties of 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 267.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).