4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile

C14H22N2 — CID 150942819

IUPAC4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile
SMILESCN(C1C=CC(C#N)CC1)C1CCCCC1
InChIInChI=1S/C14H22N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h7,9,12-14H,2-6,8,10H2,1H3
InChIKeyLIKJKFFMQQGGLB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.11
Rot. Bonds2

About 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile

4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile (PubChem CID 150942819) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile
PubChem CID150942819
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile
SMILESCN(C1C=CC(C#N)CC1)C1CCCCC1
InChIInChI=1S/C14H22N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h7,9,12-14H,2-6,8,10H2,1H3
InChIKeyLIKJKFFMQQGGLB-UHFFFAOYSA-N
XLogP3.11
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile?
The IUPAC name of 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile (CID 150942819) is 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile is CN(C1C=CC(C#N)CC1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile?
The InChIKey is LIKJKFFMQQGGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h7,9,12-14H,2-6,8,10H2,1H3.
What are the key properties of 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile?
4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile has a molecular weight of 218.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]cyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 150942819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).