2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one

C14H28N2O — CID 55010795

IUPAC2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one
SMILESCC(C)CN(CCN(C)C)C1CCCCC1=O
InChIInChI=1S/C14H28N2O/c1-12(2)11-16(10-9-15(3)4)13-7-5-6-8-14(13)17/h12-13H,5-11H2,1-4H3
InChIKeyDJFRNKCYHCHVOM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one

2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one (PubChem CID 55010795) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one
PubChem CID55010795
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one
SMILESCC(C)CN(CCN(C)C)C1CCCCC1=O
InChIInChI=1S/C14H28N2O/c1-12(2)11-16(10-9-15(3)4)13-7-5-6-8-14(13)17/h12-13H,5-11H2,1-4H3
InChIKeyDJFRNKCYHCHVOM-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one (CID 55010795) is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one is CC(C)CN(CCN(C)C)C1CCCCC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one?
The InChIKey is DJFRNKCYHCHVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)11-16(10-9-15(3)4)13-7-5-6-8-14(13)17/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one?
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one is sourced from PubChem (CID 55010795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).