(4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine

C30H49F2N3 — CID 166651398

IUPAC(4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine
SMILESC=C(C)C1=C(C)C(C(C)C)N(C)N(C/C=C/C=C(CCCN(CCC)CCC)\C(F)=C(/C)F)C1=C
InChIInChI=1S/C30H49F2N3/c1-11-18-34(19-12-2)20-15-17-27(29(32)25(8)31)16-13-14-21-35-26(9)28(22(3)4)24(7)30(23(5)6)33(35)10/h13-14,16,23,30H,3,9,11-12,15,17-21H2,1-2,4-8,10H3/b14-13+,27-16-,29-25-
InChIKeyZEMIQBYRGYDVIU-VRYMCUJBSA-N
MW489.74 g/mol
LogP8.14
Rot. Bonds14

About (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine

(4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine (PubChem CID 166651398) has the molecular formula C30H49F2N3 and a molecular weight of 489.74 g/mol. Its IUPAC name is (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine
PubChem CID166651398
Molecular FormulaC30H49F2N3
Molecular Weight489.74 g/mol
Exact Mass489.39
IUPAC Name(4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine
SMILESC=C(C)C1=C(C)C(C(C)C)N(C)N(C/C=C/C=C(CCCN(CCC)CCC)\C(F)=C(/C)F)C1=C
InChIInChI=1S/C30H49F2N3/c1-11-18-34(19-12-2)20-15-17-27(29(32)25(8)31)16-13-14-21-35-26(9)28(22(3)4)24(7)30(23(5)6)33(35)10/h13-14,16,23,30H,3,9,11-12,15,17-21H2,1-2,4-8,10H3/b14-13+,27-16-,29-25-
InChIKeyZEMIQBYRGYDVIU-VRYMCUJBSA-N
XLogP8.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.74
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine?
The IUPAC name of (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine (CID 166651398) is (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine?
The canonical SMILES for (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine is C=C(C)C1=C(C)C(C(C)C)N(C)N(C/C=C/C=C(CCCN(CCC)CCC)\C(F)=C(/C)F)C1=C.
What is the InChIKey of (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine?
The InChIKey is ZEMIQBYRGYDVIU-VRYMCUJBSA-N. The full InChI is InChI=1S/C30H49F2N3/c1-11-18-34(19-12-2)20-15-17-27(29(32)25(8)31)16-13-14-21-35-26(9)28(22(3)4)24(7)30(23(5)6)33(35)10/h13-14,16,23,30H,3,9,11-12,15,17-21H2,1-2,4-8,10H3/b14-13+,27-16-,29-25-.
What are the key properties of (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine?
(4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine has a molecular weight of 489.74 g/mol, XLogP of 8.14, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-4-[(Z)-1,2-difluoroprop-1-enyl]-8-(2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazin-1-yl)-N,N-dipropylocta-4,6-dien-1-amine is sourced from PubChem (CID 166651398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).