2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one

C17H33NO — CID 64737762

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC(C)CN(CC(C)C)CC1C(=O)CC(C)CC1C
InChIInChI=1S/C17H33NO/c1-12(2)9-18(10-13(3)4)11-16-15(6)7-14(5)8-17(16)19/h12-16H,7-11H2,1-6H3
InChIKeyPIYXNSIOVARXLH-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.85
Rot. Bonds6

About 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one

2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64737762) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64737762
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC(C)CN(CC(C)C)CC1C(=O)CC(C)CC1C
InChIInChI=1S/C17H33NO/c1-12(2)9-18(10-13(3)4)11-16-15(6)7-14(5)8-17(16)19/h12-16H,7-11H2,1-6H3
InChIKeyPIYXNSIOVARXLH-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one (CID 64737762) is 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one is CC(C)CN(CC(C)C)CC1C(=O)CC(C)CC1C.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is PIYXNSIOVARXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)9-18(10-13(3)4)11-16-15(6)7-14(5)8-17(16)19/h12-16H,7-11H2,1-6H3.
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 267.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64737762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).