(3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine

C9H14FN — CID 142348690

IUPAC(3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)C(C)C
InChIInChI=1S/C9H14FN/c1-6(2)8(4)9(10)5-7(3)11/h5-6H,3-4,11H2,1-2H3/b9-5+
InChIKeyFDHPVOAGYZICKX-WEVVVXLNSA-N
MW155.22 g/mol
LogP2.52
Rot. Bonds3

About (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine

(3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine (PubChem CID 142348690) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
PubChem CID142348690
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)C(C)C
InChIInChI=1S/C9H14FN/c1-6(2)8(4)9(10)5-7(3)11/h5-6H,3-4,11H2,1-2H3/b9-5+
InChIKeyFDHPVOAGYZICKX-WEVVVXLNSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
The IUPAC name of (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine (CID 142348690) is (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine is C=C(N)/C=C(/F)C(=C)C(C)C.
What is the InChIKey of (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
The InChIKey is FDHPVOAGYZICKX-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H14FN/c1-6(2)8(4)9(10)5-7(3)11/h5-6H,3-4,11H2,1-2H3/b9-5+.
What are the key properties of (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
(3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine has a molecular weight of 155.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine is sourced from PubChem (CID 142348690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).