(Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C17H21ClN2 — CID 8007691

IUPAC(Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C\c1ccccc1Cl)C2
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+/t13-,17+/m1/s1
InChIKeyOAWVIQMDJSBUFO-OCSNCCPGSA-N
MW288.82 g/mol
LogP4.96
Rot. Bonds2

About (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

(Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 8007691) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID8007691
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name(Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C\c1ccccc1Cl)C2
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+/t13-,17+/m1/s1
InChIKeyOAWVIQMDJSBUFO-OCSNCCPGSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 8007691) is (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C\c1ccccc1Cl)C2.
What is the InChIKey of (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is OAWVIQMDJSBUFO-OCSNCCPGSA-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+/t13-,17+/m1/s1.
What are the key properties of (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
(Z,1R,4R)-N-[(Z)-(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 (Z,1R,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 8007691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).