(2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine

C8H14FN — CID 138659287

IUPAC(2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine
SMILESCC/C=C\C(F)=C/CNC
InChIInChI=1S/C8H14FN/c1-3-4-5-8(9)6-7-10-2/h4-6,10H,3,7H2,1-2H3/b5-4-,8-6+
InChIKeyTXWXJLSAUONMOP-GSGSLZOQSA-N
MW143.20 g/mol
LogP2.03
Rot. Bonds4

About (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine

(2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine (PubChem CID 138659287) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine
PubChem CID138659287
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine
SMILESCC/C=C\C(F)=C/CNC
InChIInChI=1S/C8H14FN/c1-3-4-5-8(9)6-7-10-2/h4-6,10H,3,7H2,1-2H3/b5-4-,8-6+
InChIKeyTXWXJLSAUONMOP-GSGSLZOQSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Cycloheptatriene-1-ethylamine
CID 58094
2-Fluoropicoline
CID 69611625
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
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
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
6-Fluoro-2-methyl-1,2-dihydropyridine
CID 90267004
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
5-Fluoro-2-methyl-1,2-dihydropyridine
CID 90950322
(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine
CID 118438715

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine (CID 138659287) is (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine is CC/C=C\C(F)=C/CNC.
What is the InChIKey of (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine?
The InChIKey is TXWXJLSAUONMOP-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-4-5-8(9)6-7-10-2/h4-6,10H,3,7H2,1-2H3/b5-4-,8-6+.
What are the key properties of (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine?
(2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine has a molecular weight of 143.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-N-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 138659287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).