(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine

C12H19FN2 — CID 143466495

IUPAC(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine
SMILESC=C/C=C1/CNCCC/C(=C(\F)CN)C1
InChIInChI=1S/C12H19FN2/c1-2-4-10-7-11(12(13)8-14)5-3-6-15-9-10/h2,4,15H,1,3,5-9,14H2/b10-4+,12-11+
InChIKeyUOKJUFPVVWGBFF-DBYQWZQKSA-N
MW210.30 g/mol
LogP2.05
Rot. Bonds2

About (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine

(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine (PubChem CID 143466495) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine.

Molecular Properties

Compound Name(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine
PubChem CID143466495
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine
SMILESC=C/C=C1/CNCCC/C(=C(\F)CN)C1
InChIInChI=1S/C12H19FN2/c1-2-4-10-7-11(12(13)8-14)5-3-6-15-9-10/h2,4,15H,1,3,5-9,14H2/b10-4+,12-11+
InChIKeyUOKJUFPVVWGBFF-DBYQWZQKSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(6-Fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane
CID 91215274
N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine
CID 130390669
N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
CID 137402236
(2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine
CID 142236403
4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine
CID 142892616
(2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine
CID 162388071
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
CID 71063508
4-Azabicyclo[6.6.0]tetradeca-1(14),8,11-triene
CID 90878388
(3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane
CID 142834169
1,2,3,4,5,6,7,8-Octahydro-3-benzazocine
CID 167243270
3-Azabicyclo[4.4.2]dodeca-1(10),6-diene
CID 173713310
2-(Cyclooctatetraenyl)azocane
CID 173859302

Frequently Asked Questions

What is the IUPAC name of (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine?
The IUPAC name of (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine (CID 143466495) is (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine.
What is the SMILES notation for (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine?
The canonical SMILES for (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine is C=C/C=C1/CNCCC/C(=C(\F)CN)C1.
What is the InChIKey of (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine?
The InChIKey is UOKJUFPVVWGBFF-DBYQWZQKSA-N. The full InChI is InChI=1S/C12H19FN2/c1-2-4-10-7-11(12(13)8-14)5-3-6-15-9-10/h2,4,15H,1,3,5-9,14H2/b10-4+,12-11+.
What are the key properties of (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine?
(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine has a molecular weight of 210.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine is sourced from PubChem (CID 143466495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).