(2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine

C15H23F2N — CID 175625830

IUPAC(2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(\C)CC)NC/C=C(F)\C(F)=C/CC
InChIInChI=1S/C15H23F2N/c1-5-8-14(16)15(17)9-10-18-13(7-3)11-12(4)6-2/h7-9,11,18H,5-6,10H2,1-4H3/b12-11-,13-7+,14-8+,15-9+
InChIKeyMRIYQYZVNCVBAX-FYHYGXDSSA-N
MW255.35 g/mol
LogP4.95
Rot. Bonds7

About (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine

(2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine (PubChem CID 175625830) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine
PubChem CID175625830
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name(2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(\C)CC)NC/C=C(F)\C(F)=C/CC
InChIInChI=1S/C15H23F2N/c1-5-8-14(16)15(17)9-10-18-13(7-3)11-12(4)6-2/h7-9,11,18H,5-6,10H2,1-4H3/b12-11-,13-7+,14-8+,15-9+
InChIKeyMRIYQYZVNCVBAX-FYHYGXDSSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine (CID 175625830) is (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine is C/C=C(\C=C(\C)CC)NC/C=C(F)\C(F)=C/CC.
What is the InChIKey of (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine?
The InChIKey is MRIYQYZVNCVBAX-FYHYGXDSSA-N. The full InChI is InChI=1S/C15H23F2N/c1-5-8-14(16)15(17)9-10-18-13(7-3)11-12(4)6-2/h7-9,11,18H,5-6,10H2,1-4H3/b12-11-,13-7+,14-8+,15-9+.
What are the key properties of (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine?
(2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine has a molecular weight of 255.35 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]-5-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 175625830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).