(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine

C12H19FN2 — CID 126499499

IUPAC(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine
SMILESC=CC(C)/C=C\C(C)C/N=C/C(F)=C\N
InChIInChI=1S/C12H19FN2/c1-4-10(2)5-6-11(3)8-15-9-12(13)7-14/h4-7,9-11H,1,8,14H2,2-3H3/b6-5-,12-7+,15-9+
InChIKeySLZFNWZEXAMSNC-SSYODIPXSA-N
MW210.30 g/mol
LogP2.84
Rot. Bonds6

About (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine

(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine (PubChem CID 126499499) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine
PubChem CID126499499
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine
SMILESC=CC(C)/C=C\C(C)C/N=C/C(F)=C\N
InChIInChI=1S/C12H19FN2/c1-4-10(2)5-6-11(3)8-15-9-12(13)7-14/h4-7,9-11H,1,8,14H2,2-3H3/b6-5-,12-7+,15-9+
InChIKeySLZFNWZEXAMSNC-SSYODIPXSA-N
XLogP2.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.84
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'}

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Related Compounds

N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride
CID 166765756
(E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine
CID 167083513
(3E,4Z)-3-(2-fluoroprop-2-enylidene)-2-(methyliminomethyl)hepta-1,4-dien-1-amine
CID 173818793
(Z)-3-[(Z)-4-methylpent-2-en-3-yl]iminoprop-1-en-1-amine
CID 129212088
(Z)-2-[[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine
CID 134320939
ethane;(Z)-2-[[(E)-2-methylhex-2-enylidene]amino]ethenamine
CID 141990584
(Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane
CID 143667554
(Z)-2-[[(E)-2,4-dimethylhex-2-enylidene]amino]ethenamine
CID 166726198
(2Z,5Z)-4-methyl-N'-methylidenehexa-2,5-diene-1,6-diimine
CID 169810196
(Z)-3-[(3Z,6Z)-2,6-dimethylnona-3,6-dienyl]iminoprop-1-en-1-amine
CID 170390594
(3E,5E)-3-methyl-2,4-bis(methyliminomethyl)hepta-1,3,5-trien-1-amine
CID 173707038
(3Z,5Z)-4-methyl-2-(methyliminomethyl)hepta-1,3,5-trien-1-amine
CID 173857111

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine?
The IUPAC name of (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine (CID 126499499) is (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine.
What is the SMILES notation for (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine?
The canonical SMILES for (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine is C=CC(C)/C=C\C(C)C/N=C/C(F)=C\N.
What is the InChIKey of (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine?
The InChIKey is SLZFNWZEXAMSNC-SSYODIPXSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-10(2)5-6-11(3)8-15-9-12(13)7-14/h4-7,9-11H,1,8,14H2,2-3H3/b6-5-,12-7+,15-9+.
What are the key properties of (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine?
(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine is sourced from PubChem (CID 126499499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).