(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine

C15H25FN2 — CID 143686557

IUPAC(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine
SMILESC=CC(/C(F)=C\C)=C(\N)CNC/C(=C/CC)CC
InChIInChI=1S/C15H25FN2/c1-5-9-12(6-2)10-18-11-15(17)13(7-3)14(16)8-4/h7-9,18H,3,5-6,10-11,17H2,1-2,4H3/b12-9+,14-8+,15-13+
InChIKeyDPAITDPORDXKQP-BXNWYQDESA-N
MW252.38 g/mol
LogP3.59
Rot. Bonds8

About (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine

(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine (PubChem CID 143686557) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine
PubChem CID143686557
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine
SMILESC=CC(/C(F)=C\C)=C(\N)CNC/C(=C/CC)CC
InChIInChI=1S/C15H25FN2/c1-5-9-12(6-2)10-18-11-15(17)13(7-3)14(16)8-4/h7-9,18H,3,5-6,10-11,17H2,1-2,4H3/b12-9+,14-8+,15-13+
InChIKeyDPAITDPORDXKQP-BXNWYQDESA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene
CID 129274149
N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine
CID 130331428
1-N-[(3Z)-3-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)penta-1,3-dien-2-yl]-4,4,4-trifluorobutane-1,2-diamine
CID 134189210
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
CID 134424280
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine?
The IUPAC name of (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine (CID 143686557) is (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine?
The canonical SMILES for (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine is C=CC(/C(F)=C\C)=C(\N)CNC/C(=C/CC)CC.
What is the InChIKey of (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine?
The InChIKey is DPAITDPORDXKQP-BXNWYQDESA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-9-12(6-2)10-18-11-15(17)13(7-3)14(16)8-4/h7-9,18H,3,5-6,10-11,17H2,1-2,4H3/b12-9+,14-8+,15-13+.
What are the key properties of (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine?
(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 143686557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).