4-(dimethylamino)cyclohexan-1-one;ethane

C10H21NO — CID 143046249

IUPAC4-(dimethylamino)cyclohexan-1-one;ethane
SMILESCC.CN(C)C1CCC(=O)CC1
InChIInChI=1S/C8H15NO.C2H6/c1-9(2)7-3-5-8(10)6-4-7;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyDVEZIGUAZXWRHL-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds1

About 4-(dimethylamino)cyclohexan-1-one;ethane

4-(dimethylamino)cyclohexan-1-one;ethane (PubChem CID 143046249) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(dimethylamino)cyclohexan-1-one;ethane.

Molecular Properties

Compound Name4-(dimethylamino)cyclohexan-1-one;ethane
PubChem CID143046249
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(dimethylamino)cyclohexan-1-one;ethane
SMILESCC.CN(C)C1CCC(=O)CC1
InChIInChI=1S/C8H15NO.C2H6/c1-9(2)7-3-5-8(10)6-4-7;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyDVEZIGUAZXWRHL-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)cyclohexan-1-one;ethane?
The IUPAC name of 4-(dimethylamino)cyclohexan-1-one;ethane (CID 143046249) is 4-(dimethylamino)cyclohexan-1-one;ethane.
What is the SMILES notation for 4-(dimethylamino)cyclohexan-1-one;ethane?
The canonical SMILES for 4-(dimethylamino)cyclohexan-1-one;ethane is CC.CN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-(dimethylamino)cyclohexan-1-one;ethane?
The InChIKey is DVEZIGUAZXWRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-9(2)7-3-5-8(10)6-4-7;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 4-(dimethylamino)cyclohexan-1-one;ethane?
4-(dimethylamino)cyclohexan-1-one;ethane has a molecular weight of 171.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)cyclohexan-1-one;ethane is sourced from PubChem (CID 143046249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).