(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine

C16H24FN — CID 134448737

IUPAC(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
SMILESC=C/C(F)=C(CCC)/N=C(C)/C(C)=C(C)\C=C\C
InChIInChI=1S/C16H24FN/c1-7-10-12(4)13(5)14(6)18-16(11-8-2)15(17)9-3/h7,9-10H,3,8,11H2,1-2,4-6H3/b10-7+,13-12-,16-15-,18-14+
InChIKeyDNNUXGOVBWWZMK-AJXVMQLVSA-N
MW249.37 g/mol
LogP5.53
Rot. Bonds6

About (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine

(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine (PubChem CID 134448737) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
PubChem CID134448737
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
SMILESC=C/C(F)=C(CCC)/N=C(C)/C(C)=C(C)\C=C\C
InChIInChI=1S/C16H24FN/c1-7-10-12(4)13(5)14(6)18-16(11-8-2)15(17)9-3/h7,9-10H,3,8,11H2,1-2,4-6H3/b10-7+,13-12-,16-15-,18-14+
InChIKeyDNNUXGOVBWWZMK-AJXVMQLVSA-N
XLogP5.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.37
LogP ≤ 55.53
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 (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine (CID 134448737) is (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine is C=C/C(F)=C(CCC)/N=C(C)/C(C)=C(C)\C=C\C.
What is the InChIKey of (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine?
The InChIKey is DNNUXGOVBWWZMK-AJXVMQLVSA-N. The full InChI is InChI=1S/C16H24FN/c1-7-10-12(4)13(5)14(6)18-16(11-8-2)15(17)9-3/h7,9-10H,3,8,11H2,1-2,4-6H3/b10-7+,13-12-,16-15-,18-14+.
What are the key properties of (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine?
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine has a molecular weight of 249.37 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine is sourced from PubChem (CID 134448737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).