(Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine

C24H41N — CID 134286915

IUPAC(Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine
SMILESC=CC(/C(C)=N\C(=C/C)C1CC(C)(C)CC(C)(CC)C1)=C(\C)C(C)C
InChIInChI=1S/C24H41N/c1-11-21(18(6)17(4)5)19(7)25-22(12-2)20-14-23(8,9)16-24(10,13-3)15-20/h11-12,17,20H,1,13-16H2,2-10H3/b21-18-,22-12-,25-19+
InChIKeyXXQMQDBYFDDGNP-BSPQYUDJSA-N
MW343.60 g/mol
LogP7.75
Rot. Bonds6

About (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine

(Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine (PubChem CID 134286915) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine
PubChem CID134286915
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name(Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine
SMILESC=CC(/C(C)=N\C(=C/C)C1CC(C)(C)CC(C)(CC)C1)=C(\C)C(C)C
InChIInChI=1S/C24H41N/c1-11-21(18(6)17(4)5)19(7)25-22(12-2)20-14-23(8,9)16-24(10,13-3)15-20/h11-12,17,20H,1,13-16H2,2-10H3/b21-18-,22-12-,25-19+
InChIKeyXXQMQDBYFDDGNP-BSPQYUDJSA-N
XLogP7.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine?
The IUPAC name of (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine (CID 134286915) is (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine.
What is the SMILES notation for (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine?
The canonical SMILES for (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine is C=CC(/C(C)=N\C(=C/C)C1CC(C)(C)CC(C)(CC)C1)=C(\C)C(C)C.
What is the InChIKey of (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine?
The InChIKey is XXQMQDBYFDDGNP-BSPQYUDJSA-N. The full InChI is InChI=1S/C24H41N/c1-11-21(18(6)17(4)5)19(7)25-22(12-2)20-14-23(8,9)16-24(10,13-3)15-20/h11-12,17,20H,1,13-16H2,2-10H3/b21-18-,22-12-,25-19+.
What are the key properties of (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine?
(Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine has a molecular weight of 343.60 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-N-[(Z)-1-(3-ethyl-3,5,5-trimethylcyclohexyl)prop-1-enyl]-4,5-dimethylhex-3-en-2-imine is sourced from PubChem (CID 134286915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).