(E,4S)-1-fluoro-N-methylhept-2-en-4-amine

C8H16FN — CID 143121324

IUPAC(E,4S)-1-fluoro-N-methylhept-2-en-4-amine
SMILESCCC[C@@H](/C=C/CF)NC
InChIInChI=1S/C8H16FN/c1-3-5-8(10-2)6-4-7-9/h4,6,8,10H,3,5,7H2,1-2H3/b6-4+/t8-/m0/s1
InChIKeyZJQPYOSGPBWRGC-JQTRYQTASA-N
MW145.22 g/mol
LogP1.90
Rot. Bonds5

About (E,4S)-1-fluoro-N-methylhept-2-en-4-amine

(E,4S)-1-fluoro-N-methylhept-2-en-4-amine (PubChem CID 143121324) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (E,4S)-1-fluoro-N-methylhept-2-en-4-amine.

Molecular Properties

Compound Name(E,4S)-1-fluoro-N-methylhept-2-en-4-amine
PubChem CID143121324
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(E,4S)-1-fluoro-N-methylhept-2-en-4-amine
SMILESCCC[C@@H](/C=C/CF)NC
InChIInChI=1S/C8H16FN/c1-3-5-8(10-2)6-4-7-9/h4,6,8,10H,3,5,7H2,1-2H3/b6-4+/t8-/m0/s1
InChIKeyZJQPYOSGPBWRGC-JQTRYQTASA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,4S)-1-fluoro-N-methylhept-2-en-4-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

Isometheptene
CID 22297
Dexisometheptene
CID 24871315
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
Isometheptene-mucate
CID 6604597
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1-dimethyl-
CID 6435019
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
rac-(2R,6R)-2,6-diallyl-1,2,3,6-tetrahydropyridine
CID 2832191
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
rac-(2R,6R)-2-allyl-6-methyl-1,2,3,6-tetrahydropyridine
CID 3600922
(2S,6S)-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
CID 6353401

Frequently Asked Questions

What is the IUPAC name of (E,4S)-1-fluoro-N-methylhept-2-en-4-amine?
The IUPAC name of (E,4S)-1-fluoro-N-methylhept-2-en-4-amine (CID 143121324) is (E,4S)-1-fluoro-N-methylhept-2-en-4-amine.
What is the SMILES notation for (E,4S)-1-fluoro-N-methylhept-2-en-4-amine?
The canonical SMILES for (E,4S)-1-fluoro-N-methylhept-2-en-4-amine is CCC[C@@H](/C=C/CF)NC.
What is the InChIKey of (E,4S)-1-fluoro-N-methylhept-2-en-4-amine?
The InChIKey is ZJQPYOSGPBWRGC-JQTRYQTASA-N. The full InChI is InChI=1S/C8H16FN/c1-3-5-8(10-2)6-4-7-9/h4,6,8,10H,3,5,7H2,1-2H3/b6-4+/t8-/m0/s1.
What are the key properties of (E,4S)-1-fluoro-N-methylhept-2-en-4-amine?
(E,4S)-1-fluoro-N-methylhept-2-en-4-amine has a molecular weight of 145.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-1-fluoro-N-methylhept-2-en-4-amine is sourced from PubChem (CID 143121324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).