2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile

C15H22N2 — CID 24869527

IUPAC2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile
SMILESCC1CCCCC1/C=N/C1=C(C#N)CCCC1
InChIInChI=1S/C15H22N2/c1-12-6-2-3-8-14(12)11-17-15-9-5-4-7-13(15)10-16/h11-12,14H,2-9H2,1H3/b17-11+
InChIKeyUCCFYLHGUXLZJY-GZTJUZNOSA-N
MW230.35 g/mol
LogP4.24
Rot. Bonds2

About 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile

2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile (PubChem CID 24869527) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile
PubChem CID24869527
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile
SMILESCC1CCCCC1/C=N/C1=C(C#N)CCCC1
InChIInChI=1S/C15H22N2/c1-12-6-2-3-8-14(12)11-17-15-9-5-4-7-13(15)10-16/h11-12,14H,2-9H2,1H3/b17-11+
InChIKeyUCCFYLHGUXLZJY-GZTJUZNOSA-N
XLogP4.24
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile?
The IUPAC name of 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile (CID 24869527) is 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile?
The canonical SMILES for 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile is CC1CCCCC1/C=N/C1=C(C#N)CCCC1.
What is the InChIKey of 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile?
The InChIKey is UCCFYLHGUXLZJY-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-6-2-3-8-14(12)11-17-15-9-5-4-7-13(15)10-16/h11-12,14H,2-9H2,1H3/b17-11+.
What are the key properties of 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile?
2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile has a molecular weight of 230.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile is sourced from PubChem (CID 24869527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).