(E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine

C9H15FN2 — CID 167083513

IUPAC(E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine
SMILESCCC(C)/C(F)=C/C=N/C=C/N
InChIInChI=1S/C9H15FN2/c1-3-8(2)9(10)4-6-12-7-5-11/h4-8H,3,11H2,1-2H3/b7-5+,9-4-,12-6+
InChIKeyUDLXMGPBYIDGCZ-ZCPJMBFHSA-N
MW170.23 g/mol
LogP2.39
Rot. Bonds4

About (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine

(E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine (PubChem CID 167083513) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine.

Molecular Properties

Compound Name(E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine
PubChem CID167083513
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name(E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine
SMILESCCC(C)/C(F)=C/C=N/C=C/N
InChIInChI=1S/C9H15FN2/c1-3-8(2)9(10)4-6-12-7-5-11/h4-8H,3,11H2,1-2H3/b7-5+,9-4-,12-6+
InChIKeyUDLXMGPBYIDGCZ-ZCPJMBFHSA-N
XLogP2.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine
CID 126499499
4-ethyl-4H-azepine
CID 90736264
N'-(3-methylpent-1-enyl)ethane-1,2-diimine
CID 123513166
(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
(Z)-5-methyl-N-[(Z)-prop-1-enyl]hex-2-en-1-imine
CID 137384730
(2Z,6Z)-5-methyl-4,5-dihydroazocine
CID 143512982
(E,3Z)-3-[[[(Z)-but-2-enylidene]amino]methylidene]-4-methylpent-1-en-1-amine
CID 146260473
(1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine
CID 146260499
(1E,3Z)-5-methylimino-2-propan-2-ylpenta-1,3-dien-1-amine
CID 146613802
(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

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine?
The IUPAC name of (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine (CID 167083513) is (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine.
What is the SMILES notation for (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine?
The canonical SMILES for (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine is CCC(C)/C(F)=C/C=N/C=C/N.
What is the InChIKey of (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine?
The InChIKey is UDLXMGPBYIDGCZ-ZCPJMBFHSA-N. The full InChI is InChI=1S/C9H15FN2/c1-3-8(2)9(10)4-6-12-7-5-11/h4-8H,3,11H2,1-2H3/b7-5+,9-4-,12-6+.
What are the key properties of (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine?
(E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine has a molecular weight of 170.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[(Z)-3-fluoro-4-methylhex-2-enylidene]amino]ethenamine is sourced from PubChem (CID 167083513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).