3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile

C11H16N2 — CID 11104631

IUPAC3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile
SMILESCC/N=C1/C=CC(CCC#N)CC1
InChIInChI=1S/C11H16N2/c1-2-13-11-7-5-10(6-8-11)4-3-9-12/h5,7,10H,2-4,6,8H2,1H3/b13-11-
InChIKeyLQQORAKWUHIIHA-QBFSEMIESA-N
MW176.26 g/mol
LogP2.72
Rot. Bonds3

About 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile

3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile (PubChem CID 11104631) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile
PubChem CID11104631
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile
SMILESCC/N=C1/C=CC(CCC#N)CC1
InChIInChI=1S/C11H16N2/c1-2-13-11-7-5-10(6-8-11)4-3-9-12/h5,7,10H,2-4,6,8H2,1H3/b13-11-
InChIKeyLQQORAKWUHIIHA-QBFSEMIESA-N
XLogP2.72
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-[[3-(Dicyanomethyl)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]ethylimino]-5,5-dimethylcyclohexen-1-yl]propanedinitrile
CID 123395344
(2E)-2-tert-butyliminocyclohex-3-ene-1-carbonitrile
CID 12578994
3-(5-Ethyliminocyclohex-3-en-1-yl)prop-2-enenitrile
CID 57045035
(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
CID 90785170
4-butyl-N-methylcyclohex-2-en-1-imine
CID 91428157
2-[3-(2-Ethylhexylimino)-5,5-dimethylcyclohexen-1-yl]propanedinitrile
CID 123137506
2-Imino-5-propylcyclohex-3-ene-1-carbonitrile
CID 123153943
2-[3-(Cyclohepta-1,3,6-trien-1-ylmethylimino)-5,5-dimethylcyclohexen-1-yl]propanenitrile
CID 123520407
2-(5,5-Dimethyl-3-prop-2-enyliminocyclohexen-1-yl)propanedinitrile
CID 123601282
N-methyl-6-propylcyclohex-2-en-1-imine
CID 123602981
2-(5,5-Dimethyl-3-methyliminocyclohexen-1-yl)propanedinitrile
CID 123621744
N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine
CID 123833497

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile?
The IUPAC name of 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile (CID 11104631) is 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile?
The canonical SMILES for 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile is CC/N=C1/C=CC(CCC#N)CC1.
What is the InChIKey of 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile?
The InChIKey is LQQORAKWUHIIHA-QBFSEMIESA-N. The full InChI is InChI=1S/C11H16N2/c1-2-13-11-7-5-10(6-8-11)4-3-9-12/h5,7,10H,2-4,6,8H2,1H3/b13-11-.
What are the key properties of 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile?
3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile has a molecular weight of 176.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyliminocyclohex-2-en-1-yl)propanenitrile is sourced from PubChem (CID 11104631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).