(1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine

C18H27FIN3 — CID 163707955

IUPAC(1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine
SMILES[H]/N=C(C/C=C(C)\C=C/N)/C(=C(\C(=C)F)C(=CC)/N=C/C)I(C)C
InChIInChI=1S/C18H27FIN3/c1-7-16(23-8-2)17(14(4)19)18(20(5)6)15(22)10-9-13(3)11-12-21/h7-9,11-12,22H,4,10,21H2,1-3,5-6H3/b12-11-,13-9-,16-7-,18-17-,22-15+,23-8+
InChIKeyKGSBUYZFQMVZNL-AOOKYUCISA-N
MW431.34 g/mol
LogP5.31
Rot. Bonds8

About (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine

(1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine (PubChem CID 163707955) has the molecular formula C18H27FIN3 and a molecular weight of 431.34 g/mol. Its IUPAC name is (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine.

Molecular Properties

Compound Name(1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine
PubChem CID163707955
Molecular FormulaC18H27FIN3
Molecular Weight431.34 g/mol
Exact Mass431.12
IUPAC Name(1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine
SMILES[H]/N=C(C/C=C(C)\C=C/N)/C(=C(\C(=C)F)C(=CC)/N=C/C)I(C)C
InChIInChI=1S/C18H27FIN3/c1-7-16(23-8-2)17(14(4)19)18(20(5)6)15(22)10-9-13(3)11-12-21/h7-9,11-12,22H,4,10,21H2,1-3,5-6H3/b12-11-,13-9-,16-7-,18-17-,22-15+,23-8+
InChIKeyKGSBUYZFQMVZNL-AOOKYUCISA-N
XLogP5.31
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine with MolForge

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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
5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(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
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
(4E,6Z)-4-(1-fluoroethenyl)-5-[(1R)-1-[[(2Z,4E)-hexa-2,4-dienylidene]amino]propyl]-7-methyl-N-[(Z)-prop-1-enyl]nona-1,4,6,8-tetraen-3-imine
CID 173799592
(1Z,4E)-1-(ethylideneamino)-5-[[(Z)-6-fluoro-5-methylidenehept-3-en-2-ylidene]amino]-4-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 173816436
(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine
CID 134502439
(2E,4E)-4-[[(1E,3Z)-2-(aminomethyl)-4-iodobuta-1,3-dienyl]iminomethyl]-3-ethanimidoylhexa-2,4-dien-2-amine
CID 138579405
(Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine
CID 139566184
(1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine
CID 142946945
(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine
CID 154948939
(E)-2-methanimidoyl-3-[(3Z)-2-methylpenta-1,3-dien-3-yl]iminobut-1-en-1-amine
CID 168890481

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine?
The IUPAC name of (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine (CID 163707955) is (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine.
What is the SMILES notation for (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine?
The canonical SMILES for (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine is [H]/N=C(C/C=C(C)\C=C/N)/C(=C(\C(=C)F)C(=CC)/N=C/C)I(C)C.
What is the InChIKey of (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine?
The InChIKey is KGSBUYZFQMVZNL-AOOKYUCISA-N. The full InChI is InChI=1S/C18H27FIN3/c1-7-16(23-8-2)17(14(4)19)18(20(5)6)15(22)10-9-13(3)11-12-21/h7-9,11-12,22H,4,10,21H2,1-3,5-6H3/b12-11-,13-9-,16-7-,18-17-,22-15+,23-8+.
What are the key properties of (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine?
(1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine has a molecular weight of 431.34 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,7E,9Z)-7-(dimethyl-λ3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine is sourced from PubChem (CID 163707955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).