2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile

C12H21NO — CID 130878069

IUPAC2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile
SMILESCC(C)OC1(C#N)CCCC(C)C1C
InChIInChI=1S/C12H21NO/c1-9(2)14-12(8-13)7-5-6-10(3)11(12)4/h9-11H,5-7H2,1-4H3
InChIKeyNXDJXQZWDMHNPD-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.13
Rot. Bonds2

About 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile

2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile (PubChem CID 130878069) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile
PubChem CID130878069
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile
SMILESCC(C)OC1(C#N)CCCC(C)C1C
InChIInChI=1S/C12H21NO/c1-9(2)14-12(8-13)7-5-6-10(3)11(12)4/h9-11H,5-7H2,1-4H3
InChIKeyNXDJXQZWDMHNPD-UHFFFAOYSA-N
XLogP3.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-propan-2-yloxycyclopentane-1-carbonitrile
CID 130993262
1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755958
formaldehyde;1,1,2,3-tetramethylcyclohexane
CID 175438935
cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate
CID 45098862
1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile
CID 45095912
(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile
CID 11686937
1-(3-hydroxypropylamino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755156
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220
1-chloro-4-propan-2-ylcycloheptane-1-carbonitrile
CID 65090781
4-methyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carbonitrile
CID 65379131
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
1-(1-hydroxy-4,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79133079

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile?
The IUPAC name of 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile (CID 130878069) is 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile.
What is the SMILES notation for 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile?
The canonical SMILES for 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile is CC(C)OC1(C#N)CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile?
The InChIKey is NXDJXQZWDMHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)14-12(8-13)7-5-6-10(3)11(12)4/h9-11H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile?
2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile is sourced from PubChem (CID 130878069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).