N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine

C17H25FN2 — CID 130243064

IUPACN-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine
SMILESC=C/N=C(\CC=C(C=C)NC=C)C(C)C=C(C)C(C)F
InChIInChI=1S/C17H25FN2/c1-7-16(19-8-2)10-11-17(20-9-3)14(5)12-13(4)15(6)18/h7-10,12,14-15,19H,1-3,11H2,4-6H3/b13-12?,16-10?,20-17+
InChIKeyXMCUGBPAZZZOFU-HBOYPRBQSA-N
MW276.40 g/mol
LogP4.70
Rot. Bonds9

About N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine

N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine (PubChem CID 130243064) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine.

Molecular Properties

Compound NameN-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine
PubChem CID130243064
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine
SMILESC=C/N=C(\CC=C(C=C)NC=C)C(C)C=C(C)C(C)F
InChIInChI=1S/C17H25FN2/c1-7-16(19-8-2)10-11-17(20-9-3)14(5)12-13(4)15(6)18/h7-10,12,14-15,19H,1-3,11H2,4-6H3/b13-12?,16-10?,20-17+
InChIKeyXMCUGBPAZZZOFU-HBOYPRBQSA-N
XLogP4.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
(1E,3E)-N-[3-[[(E)-4-ethenylhex-4-en-3-ylidene]amino]prop-1-en-2-yl]-4-fluorohexa-1,3,5-trien-1-amine
CID 135161473
(E)-N-but-1-en-2-yl-5-(3-fluoro-5-imino-4-propanimidoylcyclohexa-1,3-dien-1-yl)hex-1-en-1-amine
CID 135233214
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
(E)-5-[(1E,3E,5Z)-6-cyclopropyl-2,3-dimethyl-5-(trifluoromethyl)hepta-1,3,5-trienyl]imino-N-ethenyl-4-methylidenehex-2-en-2-amine;ethane
CID 167506827
(Z)-1-(4-butan-2-yl-2,3-difluorocyclohexa-1,5-dien-1-yl)-2-[[(Z)-hept-5-en-3-ylidene]amino]ethenamine
CID 169622967
5-fluoro-N,5-dimethyl-3-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)iminohex-1-en-2-amine
CID 169665660
(1E,3E,5Z)-4-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-N-methylhepta-1,3,5-trien-1-amine
CID 173750699

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine?
The IUPAC name of N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine (CID 130243064) is N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine.
What is the SMILES notation for N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine?
The canonical SMILES for N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine is C=C/N=C(\CC=C(C=C)NC=C)C(C)C=C(C)C(C)F.
What is the InChIKey of N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine?
The InChIKey is XMCUGBPAZZZOFU-HBOYPRBQSA-N. The full InChI is InChI=1S/C17H25FN2/c1-7-16(19-8-2)10-11-17(20-9-3)14(5)12-13(4)15(6)18/h7-10,12,14-15,19H,1-3,11H2,4-6H3/b13-12?,16-10?,20-17+.
What are the key properties of N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine?
N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine has a molecular weight of 276.40 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-6-ethenylimino-10-fluoro-7,9-dimethylundeca-1,3,8-trien-3-amine is sourced from PubChem (CID 130243064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).