1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one

C14H27NO — CID 79053327

IUPAC1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-15(6-2)14(3,4)13(16)12-10-8-7-9-11-12/h12H,5-11H2,1-4H3
InChIKeyKJJJROKYTIDNIX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds5

About 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one

1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one (PubChem CID 79053327) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
PubChem CID79053327
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-15(6-2)14(3,4)13(16)12-10-8-7-9-11-12/h12H,5-11H2,1-4H3
InChIKeyKJJJROKYTIDNIX-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one (CID 79053327) is 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one?
The InChIKey is KJJJROKYTIDNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-15(6-2)14(3,4)13(16)12-10-8-7-9-11-12/h12H,5-11H2,1-4H3.
What are the key properties of 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one?
1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 79053327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).