(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine

C10H16FN — CID 142367099

IUPAC(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
SMILESCCC(/C=C\C=C\CNC)=C\F
InChIInChI=1S/C10H16FN/c1-3-10(9-11)7-5-4-6-8-12-2/h4-7,9,12H,3,8H2,1-2H3/b6-4+,7-5-,10-9+
InChIKeyCRHLKKJRASQNCR-PVBNJOCYSA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds5

About (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine

(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine (PubChem CID 142367099) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
PubChem CID142367099
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
SMILESCCC(/C=C\C=C\CNC)=C\F
InChIInChI=1S/C10H16FN/c1-3-10(9-11)7-5-4-6-8-12-2/h4-7,9,12H,3,8H2,1-2H3/b6-4+,7-5-,10-9+
InChIKeyCRHLKKJRASQNCR-PVBNJOCYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine
CID 89215158

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine (CID 142367099) is (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine is CCC(/C=C\C=C\CNC)=C\F.
What is the InChIKey of (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine?
The InChIKey is CRHLKKJRASQNCR-PVBNJOCYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-10(9-11)7-5-4-6-8-12-2/h4-7,9,12H,3,8H2,1-2H3/b6-4+,7-5-,10-9+.
What are the key properties of (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine?
(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine is sourced from PubChem (CID 142367099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).