(3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine

C8H13FN2 — CID 135202531

IUPAC(3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine
SMILESC=NN(C)C(=C)/C(F)=C\CC
InChIInChI=1S/C8H13FN2/c1-5-6-8(9)7(2)11(4)10-3/h6H,2-3,5H2,1,4H3/b8-6+
InChIKeyQQWVEONUSVYNHP-SOFGYWHQSA-N
MW156.20 g/mol
LogP2.31
Rot. Bonds4

About (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine

(3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine (PubChem CID 135202531) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine
PubChem CID135202531
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine
SMILESC=NN(C)C(=C)/C(F)=C\CC
InChIInChI=1S/C8H13FN2/c1-5-6-8(9)7(2)11(4)10-3/h6H,2-3,5H2,1,4H3/b8-6+
InChIKeyQQWVEONUSVYNHP-SOFGYWHQSA-N
XLogP2.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine?
The IUPAC name of (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine (CID 135202531) is (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine is C=NN(C)C(=C)/C(F)=C\CC.
What is the InChIKey of (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine?
The InChIKey is QQWVEONUSVYNHP-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13FN2/c1-5-6-8(9)7(2)11(4)10-3/h6H,2-3,5H2,1,4H3/b8-6+.
What are the key properties of (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine?
(3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine has a molecular weight of 156.20 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine is sourced from PubChem (CID 135202531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).