1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine

C17H23N — CID 122518986

IUPAC1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine
SMILESC=C(C)CC1(/C=N/c2ccccc2)CCCCC1
InChIInChI=1S/C17H23N/c1-15(2)13-17(11-7-4-8-12-17)14-18-16-9-5-3-6-10-16/h3,5-6,9-10,14H,1,4,7-8,11-13H2,2H3/b18-14+
InChIKeyGJBNIMYQHNGWSS-NBVRZTHBSA-N
MW241.38 g/mol
LogP5.31
Rot. Bonds4

About 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine

1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine (PubChem CID 122518986) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine
PubChem CID122518986
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine
SMILESC=C(C)CC1(/C=N/c2ccccc2)CCCCC1
InChIInChI=1S/C17H23N/c1-15(2)13-17(11-7-4-8-12-17)14-18-16-9-5-3-6-10-16/h3,5-6,9-10,14H,1,4,7-8,11-13H2,2H3/b18-14+
InChIKeyGJBNIMYQHNGWSS-NBVRZTHBSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine?
The IUPAC name of 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine (CID 122518986) is 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine?
The canonical SMILES for 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine is C=C(C)CC1(/C=N/c2ccccc2)CCCCC1.
What is the InChIKey of 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine?
The InChIKey is GJBNIMYQHNGWSS-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H23N/c1-15(2)13-17(11-7-4-8-12-17)14-18-16-9-5-3-6-10-16/h3,5-6,9-10,14H,1,4,7-8,11-13H2,2H3/b18-14+.
What are the key properties of 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine?
1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine has a molecular weight of 241.38 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine is sourced from PubChem (CID 122518986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).