(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine

C23H31FN2 — CID 143347280

IUPAC(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine
SMILESC=CC(=C)/C=C(\C)NC/C(C)=C(F)/C=C\C(=C/C)CNC(=C)C(=C)C=C
InChIInChI=1S/C23H31FN2/c1-9-17(4)14-20(7)25-15-19(6)23(24)13-12-22(11-3)16-26-21(8)18(5)10-2/h9-14,25-26H,1-2,4-5,8,15-16H2,3,6-7H3/b13-12-,20-14+,22-11+,23-19-
InChIKeyJLTGHYUTYXBOPT-UMZVSMCVSA-N
MW354.51 g/mol
LogP5.81
Rot. Bonds12

About (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine

(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine (PubChem CID 143347280) has the molecular formula C23H31FN2 and a molecular weight of 354.51 g/mol. Its IUPAC name is (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine.

Molecular Properties

Compound Name(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine
PubChem CID143347280
Molecular FormulaC23H31FN2
Molecular Weight354.51 g/mol
Exact Mass354.25
IUPAC Name(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine
SMILESC=CC(=C)/C=C(\C)NC/C(C)=C(F)/C=C\C(=C/C)CNC(=C)C(=C)C=C
InChIInChI=1S/C23H31FN2/c1-9-17(4)14-20(7)25-15-19(6)23(24)13-12-22(11-3)16-26-21(8)18(5)10-2/h9-14,25-26H,1-2,4-5,8,15-16H2,3,6-7H3/b13-12-,20-14+,22-11+,23-19-
InChIKeyJLTGHYUTYXBOPT-UMZVSMCVSA-N
XLogP5.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine?
The IUPAC name of (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine (CID 143347280) is (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine.
What is the SMILES notation for (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine?
The canonical SMILES for (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine is C=CC(=C)/C=C(\C)NC/C(C)=C(F)/C=C\C(=C/C)CNC(=C)C(=C)C=C.
What is the InChIKey of (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine?
The InChIKey is JLTGHYUTYXBOPT-UMZVSMCVSA-N. The full InChI is InChI=1S/C23H31FN2/c1-9-17(4)14-20(7)25-15-19(6)23(24)13-12-22(11-3)16-26-21(8)18(5)10-2/h9-14,25-26H,1-2,4-5,8,15-16H2,3,6-7H3/b13-12-,20-14+,22-11+,23-19-.
What are the key properties of (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine?
(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine has a molecular weight of 354.51 g/mol, XLogP of 5.81, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine is sourced from PubChem (CID 143347280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).