(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine

C12H22FN — CID 174287104

IUPAC(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine
SMILESCC/C(C)=C(/C=C(/F)CC)N(C)CC
InChIInChI=1S/C12H22FN/c1-6-10(4)12(14(5)8-3)9-11(13)7-2/h9H,6-8H2,1-5H3/b11-9+,12-10-
InChIKeyGNFLYUOBWODHDE-IXIPZQGVSA-N
MW199.31 g/mol
LogP3.89
Rot. Bonds5

About (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine

(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine (PubChem CID 174287104) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine
PubChem CID174287104
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine
SMILESCC/C(C)=C(/C=C(/F)CC)N(C)CC
InChIInChI=1S/C12H22FN/c1-6-10(4)12(14(5)8-3)9-11(13)7-2/h9H,6-8H2,1-5H3/b11-9+,12-10-
InChIKeyGNFLYUOBWODHDE-IXIPZQGVSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-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

(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide
CID 178099606
(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
CID 144768900
4-fluoro-5-methylhepta-2,4-diene
CID 123466906
CID 123497420
CID 123497420
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine
CID 155215817
sodium (Z)-2-fluorobut-1-en-1-olate
CID 140663889
(E)-N,N,4-trimethylhex-3-en-3-amine
CID 163931097
(2E,5Z)-2,5-difluoro-6-methylocta-2,5-diene
CID 142010132
(E)-2-N-ethyl-1-N,2-N-dimethylbut-1-ene-1,2-diamine
CID 163252486
butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide
CID 159983542
N-ethyl-N-methylacetamide;N-methyl-N-(2-oxopropyl)acetamide
CID 158566943

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine?
The IUPAC name of (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine (CID 174287104) is (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine.
What is the SMILES notation for (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine?
The canonical SMILES for (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine is CC/C(C)=C(/C=C(/F)CC)N(C)CC.
What is the InChIKey of (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine?
The InChIKey is GNFLYUOBWODHDE-IXIPZQGVSA-N. The full InChI is InChI=1S/C12H22FN/c1-6-10(4)12(14(5)8-3)9-11(13)7-2/h9H,6-8H2,1-5H3/b11-9+,12-10-.
What are the key properties of (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine?
(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine has a molecular weight of 199.31 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine is sourced from PubChem (CID 174287104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).