(1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine

C25H35F6N3 — CID 130243388

IUPAC(1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine
SMILESC=C(C)/C(C(=C)N/C=C(/C=C(\C=C/C)C(F)(F)F)C(N)/C=C(\N(C)C)C(F)(F)F)=C(/C)C(C)C
InChIInChI=1S/C25H35F6N3/c1-10-11-20(24(26,27)28)12-19(21(32)13-22(34(8)9)25(29,30)31)14-33-18(7)23(16(4)5)17(6)15(2)3/h10-15,21,33H,4,7,32H2,1-3,5-6,8-9H3/b11-10-,19-14-,20-12+,22-13-,23-17+
InChIKeyFHLZMQKOVSAGHP-KSUPRSJZSA-N
MW491.56 g/mol
LogP6.92
Rot. Bonds10

About (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine

(1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine (PubChem CID 130243388) has the molecular formula C25H35F6N3 and a molecular weight of 491.56 g/mol. Its IUPAC name is (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine.

Molecular Properties

Compound Name(1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine
PubChem CID130243388
Molecular FormulaC25H35F6N3
Molecular Weight491.56 g/mol
Exact Mass491.27
IUPAC Name(1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine
SMILESC=C(C)/C(C(=C)N/C=C(/C=C(\C=C/C)C(F)(F)F)C(N)/C=C(\N(C)C)C(F)(F)F)=C(/C)C(C)C
InChIInChI=1S/C25H35F6N3/c1-10-11-20(24(26,27)28)12-19(21(32)13-22(34(8)9)25(29,30)31)14-33-18(7)23(16(4)5)17(6)15(2)3/h10-15,21,33H,4,7,32H2,1-3,5-6,8-9H3/b11-10-,19-14-,20-12+,22-13-,23-17+
InChIKeyFHLZMQKOVSAGHP-KSUPRSJZSA-N
XLogP6.92
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine?
The IUPAC name of (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine (CID 130243388) is (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine.
What is the SMILES notation for (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine?
The canonical SMILES for (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine is C=C(C)/C(C(=C)N/C=C(/C=C(\C=C/C)C(F)(F)F)C(N)/C=C(\N(C)C)C(F)(F)F)=C(/C)C(C)C.
What is the InChIKey of (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine?
The InChIKey is FHLZMQKOVSAGHP-KSUPRSJZSA-N. The full InChI is InChI=1S/C25H35F6N3/c1-10-11-20(24(26,27)28)12-19(21(32)13-22(34(8)9)25(29,30)31)14-33-18(7)23(16(4)5)17(6)15(2)3/h10-15,21,33H,4,7,32H2,1-3,5-6,8-9H3/b11-10-,19-14-,20-12+,22-13-,23-17+.
What are the key properties of (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine?
(1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine has a molecular weight of 491.56 g/mol, XLogP of 6.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1-N-[(3E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-1,3-dien-2-yl]-6,6,6-trifluoro-5-N,5-N-dimethyl-2-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]hexa-1,4-diene-1,3,5-triamine is sourced from PubChem (CID 130243388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).