(4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine

C19H33FN2 — CID 146290182

IUPAC(4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine
SMILESC=N/C(=C(\C=C/CC(=C)C)N(CC)CCC)C(CC)CCF
InChIInChI=1S/C19H33FN2/c1-7-15-22(9-3)18(12-10-11-16(4)5)19(21-6)17(8-2)13-14-20/h10,12,17H,4,6-9,11,13-15H2,1-3,5H3/b12-10-,19-18+
InChIKeyVGLXMHKBUMXNOO-FZXVIKSRSA-N
MW308.49 g/mol
LogP5.54
Rot. Bonds12

About (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine

(4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine (PubChem CID 146290182) has the molecular formula C19H33FN2 and a molecular weight of 308.49 g/mol. Its IUPAC name is (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine.

Molecular Properties

Compound Name(4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine
PubChem CID146290182
Molecular FormulaC19H33FN2
Molecular Weight308.49 g/mol
Exact Mass308.26
IUPAC Name(4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine
SMILESC=N/C(=C(\C=C/CC(=C)C)N(CC)CCC)C(CC)CCF
InChIInChI=1S/C19H33FN2/c1-7-15-22(9-3)18(12-10-11-16(4)5)19(21-6)17(8-2)13-14-20/h10,12,17H,4,6-9,11,13-15H2,1-3,5H3/b12-10-,19-18+
InChIKeyVGLXMHKBUMXNOO-FZXVIKSRSA-N
XLogP5.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
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

(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
N-[(3Z)-1-[(3R)-1-[(4Z,7E)-7-ethyl-8,9-difluoro-2-methyldeca-4,7,9-trienyl]-3-propan-2-yl-3,4,5,8-tetrahydro-2H-azocin-5-yl]penta-1,3-dien-2-yl]methanimine
CID 167266190
(Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine
CID 130383472
(Z)-N,3-dimethyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-4-methylidenehept-5-en-1-amine;propane
CID 142206742
(3E)-N,N-diethyl-3-methylpenta-1,3-dien-2-amine;ethane;2-[(3Z)-hexa-3,5-dien-3-yl]-1-methylcyclohexa-1,3-diene;4-methylheptane;N-methylmethanimine
CID 143393889
ethane;[(2R,3S,4E)-4-ethenyl-3-ethylhepta-4,6-dien-2-yl]-methylidene-prop-1-en-2-ylazanium
CID 153575330
N-[6-[(E)-2,3-dimethylbut-1-enyl]-1-ethyl-3,4-dihydro-2H-pyridin-5-yl]methanimine
CID 156481783
ethane;(2E,4Z)-N-ethyl-N-(3-methylpent-4-enyl)hepta-2,4,6-trien-3-amine;3-ethylpent-2-ene;2-methylbut-2-ene
CID 170706132
[(2R,3S,4E)-4-ethenyl-3-ethylhepta-4,6-dien-2-yl]-methylidene-prop-1-en-2-ylazanium
CID 153575331

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine?
The IUPAC name of (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine (CID 146290182) is (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine.
What is the SMILES notation for (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine?
The canonical SMILES for (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine is C=N/C(=C(\C=C/CC(=C)C)N(CC)CCC)C(CC)CCF.
What is the InChIKey of (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine?
The InChIKey is VGLXMHKBUMXNOO-FZXVIKSRSA-N. The full InChI is InChI=1S/C19H33FN2/c1-7-15-22(9-3)18(12-10-11-16(4)5)19(21-6)17(8-2)13-14-20/h10,12,17H,4,6-9,11,13-15H2,1-3,5H3/b12-10-,19-18+.
What are the key properties of (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine?
(4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine has a molecular weight of 308.49 g/mol, XLogP of 5.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine is sourced from PubChem (CID 146290182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).