2-cyclohexyl-2-(diethylamino)acetonitrile

C12H22N2 — CID 12069856

IUPAC2-cyclohexyl-2-(diethylamino)acetonitrile
SMILESCCN(CC)C(C#N)C1CCCCC1
InChIInChI=1S/C12H22N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h11-12H,3-9H2,1-2H3
InChIKeyMPUAXBWTYPQTMV-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds4

About 2-cyclohexyl-2-(diethylamino)acetonitrile

2-cyclohexyl-2-(diethylamino)acetonitrile (PubChem CID 12069856) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(diethylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(diethylamino)acetonitrile
PubChem CID12069856
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-cyclohexyl-2-(diethylamino)acetonitrile
SMILESCCN(CC)C(C#N)C1CCCCC1
InChIInChI=1S/C12H22N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h11-12H,3-9H2,1-2H3
InChIKeyMPUAXBWTYPQTMV-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Dimethylamino)cyclohexanecarbonitrile
CID 101188
N-(Cyclohexylmethyl)-N-(propan-2-yl)propan-2-amine
CID 12865551
2-(Diethylamino)-2-(1-fluorocyclohexyl)acetonitrile
CID 46894279
1-(Diethylamino)-2-fluorocyclohexane-1-carbonitrile
CID 46894284
N-Dimethyl-cyclohexylethylamine
CID 54046824
2-[4-(3-Fluoroazetidin-1-yl)cyclohexyl]acetonitrile
CID 132100972
2-[4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile
CID 132101770
2-[Cyclohexylmethyl(methyl)amino]-2-fluorobutanenitrile
CID 142507307
Ethane;2-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetonitrile
CID 145395144
1-(Diethylamino)cyclohexanecarbonitrile
CID 12480915
3-Ethyl-1-methylpiperidine-2-carbonitrile
CID 12581464
1-(Dipropylamino)cyclohexane-1-carbonitrile
CID 15056991

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(diethylamino)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(diethylamino)acetonitrile (CID 12069856) is 2-cyclohexyl-2-(diethylamino)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(diethylamino)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(diethylamino)acetonitrile is CCN(CC)C(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(diethylamino)acetonitrile?
The InChIKey is MPUAXBWTYPQTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h11-12H,3-9H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-(diethylamino)acetonitrile?
2-cyclohexyl-2-(diethylamino)acetonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(diethylamino)acetonitrile is sourced from PubChem (CID 12069856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).