(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone

C14H22N2O — CID 107186966

IUPAC(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H22N2O/c1-4-16-10-9-15-13(16)12(17)11-7-5-6-8-14(11,2)3/h9-11H,4-8H2,1-3H3
InChIKeyVCHCQPAYYDGHJD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.30
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone

(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 107186966) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
PubChem CID107186966
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H22N2O/c1-4-16-10-9-15-13(16)12(17)11-7-5-6-8-14(11,2)3/h9-11H,4-8H2,1-3H3
InChIKeyVCHCQPAYYDGHJD-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 107186965
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
CID 114973016
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116579048
(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 116750075
(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80683731
(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
CID 114973031
(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
CID 105101153
(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone
CID 116580834
(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 107186691

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone (CID 107186966) is (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)C1CCCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is VCHCQPAYYDGHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16-10-9-15-13(16)12(17)11-7-5-6-8-14(11,2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 234.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 107186966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).