(2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine

C11H19FN2 — CID 143154178

IUPAC(2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine
SMILESCN1CCCC1C/C=C\C(F)=C/CN
InChIInChI=1S/C11H19FN2/c1-14-9-3-6-11(14)5-2-4-10(12)7-8-13/h2,4,7,11H,3,5-6,8-9,13H2,1H3/b4-2-,10-7+
InChIKeyRHZZIQZDBACZGI-ZUJKMQPRSA-N
MW198.29 g/mol
LogP1.84
Rot. Bonds4

About (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine

(2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine (PubChem CID 143154178) has the molecular formula C11H19FN2 and a molecular weight of 198.29 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine
PubChem CID143154178
Molecular FormulaC11H19FN2
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Name(2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine
SMILESCN1CCCC1C/C=C\C(F)=C/CN
InChIInChI=1S/C11H19FN2/c1-14-9-3-6-11(14)5-2-4-10(12)7-8-13/h2,4,7,11H,3,5-6,8-9,13H2,1H3/b4-2-,10-7+
InChIKeyRHZZIQZDBACZGI-ZUJKMQPRSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine (CID 143154178) is (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine is CN1CCCC1C/C=C\C(F)=C/CN.
What is the InChIKey of (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine?
The InChIKey is RHZZIQZDBACZGI-ZUJKMQPRSA-N. The full InChI is InChI=1S/C11H19FN2/c1-14-9-3-6-11(14)5-2-4-10(12)7-8-13/h2,4,7,11H,3,5-6,8-9,13H2,1H3/b4-2-,10-7+.
What are the key properties of (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine?
(2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine has a molecular weight of 198.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-6-(1-methylpyrrolidin-2-yl)hexa-2,4-dien-1-amine is sourced from PubChem (CID 143154178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).