4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile

C22H37N — CID 67806013

IUPAC4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
SMILESCC/C=C\CCCC1CCC(CCC2CCC(C#N)CC2)CC1
InChIInChI=1S/C22H37N/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)12-13-21-14-16-22(18-23)17-15-21/h3-4,19-22H,2,5-17H2,1H3/b4-3-
InChIKeyLMEDCQCRILSOLX-ARJAWSKDSA-N
MW315.55 g/mol
LogP7.04
Rot. Bonds8

About 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile

4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile (PubChem CID 67806013) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
PubChem CID67806013
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
SMILESCC/C=C\CCCC1CCC(CCC2CCC(C#N)CC2)CC1
InChIInChI=1S/C22H37N/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)12-13-21-14-16-22(18-23)17-15-21/h3-4,19-22H,2,5-17H2,1H3/b4-3-
InChIKeyLMEDCQCRILSOLX-ARJAWSKDSA-N
XLogP7.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(pent-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 56627723
4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile;trihydrate
CID 157133705
4-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 67805976
(3R)-3-ethylcyclopentane-1-carbonitrile
CID 178017257
4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 19695524
4-[2-[4-(pentoxymethyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 19899818
4-[1-(4-butylcyclohexyl)-3-[3-(4-butylcyclohexyl)-3-(4-cyanocyclohexyl)propoxy]propyl]cyclohexane-1-carbonitrile
CID 67829616
4-(4-butylcyclohexyl)-1-[(Z)-hex-3-enyl]cyclohexane-1-carbonitrile
CID 67922580
4-[4-(3-hept-4-enoxypropyl)cyclohexyl]benzonitrile
CID 54041694
4-[(4-heptylcyclohexyl)oxymethyl]cyclohexane-1-carbonitrile
CID 20516716
3-oct-5-enoxypropylcyclohexane
CID 57218622
(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonitrile
CID 54020010

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile (CID 67806013) is 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile is CC/C=C\CCCC1CCC(CCC2CCC(C#N)CC2)CC1.
What is the InChIKey of 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
The InChIKey is LMEDCQCRILSOLX-ARJAWSKDSA-N. The full InChI is InChI=1S/C22H37N/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)12-13-21-14-16-22(18-23)17-15-21/h3-4,19-22H,2,5-17H2,1H3/b4-3-.
What are the key properties of 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile?
4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile has a molecular weight of 315.55 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(Z)-hept-4-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 67806013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).