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

C8H14FN — CID 167199997

IUPAC(1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine
SMILESCCC/C(F)=C\C=C/NC
InChIInChI=1S/C8H14FN/c1-3-5-8(9)6-4-7-10-2/h4,6-7,10H,3,5H2,1-2H3/b7-4-,8-6+
InChIKeyCJZTZBRGCZLCHB-ZJLRGQKUSA-N
MW143.20 g/mol
LogP2.37
Rot. Bonds4

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

(1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine (PubChem CID 167199997) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine
PubChem CID167199997
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine
SMILESCCC/C(F)=C\C=C/NC
InChIInChI=1S/C8H14FN/c1-3-5-8(9)6-4-7-10-2/h4,6-7,10H,3,5H2,1-2H3/b7-4-,8-6+
InChIKeyCJZTZBRGCZLCHB-ZJLRGQKUSA-N
XLogP2.37
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 ≤ 52.37
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-Fluoropicoline
CID 69611625
Octadienylamine
CID 22119560
Aminoheptadiene
CID 53704068
Aminooctadiene
CID 73866044
Bisoctadienylamine
CID 73997132
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
(1E,3Z)-2-fluoro-5-methylidenehepta-1,3-dien-1-amine
CID 90048199
4-Ethyl-2-fluoro-1,2-dihydropyridine
CID 118478905
(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine
CID 118569124
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
CID 126583190
(1Z,3E)-N,4-dimethyl-3-(trifluoromethyl)hexa-1,3-dien-1-amine
CID 129140487
(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
CID 130321519

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine (CID 167199997) is (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine is CCC/C(F)=C\C=C/NC.
What is the InChIKey of (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine?
The InChIKey is CJZTZBRGCZLCHB-ZJLRGQKUSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-5-8(9)6-4-7-10-2/h4,6-7,10H,3,5H2,1-2H3/b7-4-,8-6+.
What are the key properties of (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine?
(1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine has a molecular weight of 143.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-fluoro-N-methylhepta-1,3-dien-1-amine is sourced from PubChem (CID 167199997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).