(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine

C10H16FN — CID 171547680

IUPAC(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine
SMILESC=C/C(F)=C\C(=C/C)C(C)NC
InChIInChI=1S/C10H16FN/c1-5-9(8(3)12-4)7-10(11)6-2/h5-8,12H,2H2,1,3-4H3/b9-5+,10-7+
InChIKeyRVWUGJQPZDPWJT-FWMCCXIMSA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds4

About (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine

(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine (PubChem CID 171547680) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine
PubChem CID171547680
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine
SMILESC=C/C(F)=C\C(=C/C)C(C)NC
InChIInChI=1S/C10H16FN/c1-5-9(8(3)12-4)7-10(11)6-2/h5-8,12H,2H2,1,3-4H3/b9-5+,10-7+
InChIKeyRVWUGJQPZDPWJT-FWMCCXIMSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.58
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,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine?
The IUPAC name of (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine (CID 171547680) is (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine.
What is the SMILES notation for (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine?
The canonical SMILES for (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine is C=C/C(F)=C\C(=C/C)C(C)NC.
What is the InChIKey of (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine?
The InChIKey is RVWUGJQPZDPWJT-FWMCCXIMSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-9(8(3)12-4)7-10(11)6-2/h5-8,12H,2H2,1,3-4H3/b9-5+,10-7+.
What are the key properties of (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine?
(3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-ethylidene-5-fluoro-N-methylhepta-4,6-dien-2-amine is sourced from PubChem (CID 171547680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).