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

C9H14FN — CID 143596418

IUPAC(4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(=C)CCNC
InChIInChI=1S/C9H14FN/c1-4-5-9(10)8(2)6-7-11-3/h4-5,11H,1-2,6-7H2,3H3/b9-5+
InChIKeyKUROJXCNENBIMS-WEVVVXLNSA-N
MW155.22 g/mol
LogP2.19
Rot. Bonds5

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

(4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine (PubChem CID 143596418) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine
PubChem CID143596418
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(=C)CCNC
InChIInChI=1S/C9H14FN/c1-4-5-9(10)8(2)6-7-11-3/h4-5,11H,1-2,6-7H2,3H3/b9-5+
InChIKeyKUROJXCNENBIMS-WEVVVXLNSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.19
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 (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine (CID 143596418) is (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine is C=C/C=C(/F)C(=C)CCNC.
What is the InChIKey of (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
The InChIKey is KUROJXCNENBIMS-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-5-9(10)8(2)6-7-11-3/h4-5,11H,1-2,6-7H2,3H3/b9-5+.
What are the key properties of (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
(4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 143596418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).