2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one

C13H25NO — CID 139383474

IUPAC2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one
SMILESCC1CCCC(CN(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H25NO/c1-10-7-6-8-11(12(10)15)9-14(5)13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyPBEYFWWKXKZJJM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds2

About 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one

2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one (PubChem CID 139383474) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one
PubChem CID139383474
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one
SMILESCC1CCCC(CN(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H25NO/c1-10-7-6-8-11(12(10)15)9-14(5)13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyPBEYFWWKXKZJJM-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one?
The IUPAC name of 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one (CID 139383474) is 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one?
The canonical SMILES for 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one is CC1CCCC(CN(C)C(C)(C)C)C1=O.
What is the InChIKey of 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one?
The InChIKey is PBEYFWWKXKZJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-7-6-8-11(12(10)15)9-14(5)13(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one?
2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one is sourced from PubChem (CID 139383474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).