(E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C17H21ClN2 — CID 42912665

IUPAC(E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N/N=C/c1ccccc1Cl)C2(C)C
InChIInChI=1S/C17H21ClN2/c1-16(2)13-8-9-17(16,3)15(10-13)20-19-11-12-6-4-5-7-14(12)18/h4-7,11,13H,8-10H2,1-3H3/b19-11+,20-15-
InChIKeyOAWVIQMDJSBUFO-TXKVZMQQSA-N
MW288.82 g/mol
LogP4.96
Rot. Bonds2

About (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

(E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 42912665) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID42912665
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name(E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N/N=C/c1ccccc1Cl)C2(C)C
InChIInChI=1S/C17H21ClN2/c1-16(2)13-8-9-17(16,3)15(10-13)20-19-11-12-6-4-5-7-14(12)18/h4-7,11,13H,8-10H2,1-3H3/b19-11+,20-15-
InChIKeyOAWVIQMDJSBUFO-TXKVZMQQSA-N
XLogP4.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine with MolForge

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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 4314651
4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole
CID 118329284
N-[(2,4-dichlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 4621800
(Z,1R,4R)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 5409724
(Z,1S,4S)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 7103299
(Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 8007691
(Z,1S,4S)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 8007693
2,4-Dichlorobenzaldehyde (1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazone
CID 9679647
(E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 16243622
CID 22303074
CID 22303074
(Z,1R,4S)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 22489471
(Z,1S,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 22489472

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 42912665) is (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is CC12CCC(C/C1=N/N=C/c1ccccc1Cl)C2(C)C.
What is the InChIKey of (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is OAWVIQMDJSBUFO-TXKVZMQQSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-16(2)13-8-9-17(16,3)15(10-13)20-19-11-12-6-4-5-7-14(12)18/h4-7,11,13H,8-10H2,1-3H3/b19-11+,20-15-.
What are the key properties of (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
(E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 288.82 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 42912665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).