(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine

C14H24FNO — CID 143418433

IUPAC(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine
SMILESC=C/C=C(\C=C/C(C)CC)C(OC)C(N)CF
InChIInChI=1S/C14H24FNO/c1-5-7-12(9-8-11(3)6-2)14(17-4)13(16)10-15/h5,7-9,11,13-14H,1,6,10,16H2,2-4H3/b9-8-,12-7+
InChIKeyXGUSGXYTMCIWOI-ZHCAKQDLSA-N
MW241.35 g/mol
LogP3.01
Rot. Bonds8

About (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine

(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine (PubChem CID 143418433) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine
PubChem CID143418433
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine
SMILESC=C/C=C(\C=C/C(C)CC)C(OC)C(N)CF
InChIInChI=1S/C14H24FNO/c1-5-7-12(9-8-11(3)6-2)14(17-4)13(16)10-15/h5,7-9,11,13-14H,1,6,10,16H2,2-4H3/b9-8-,12-7+
InChIKeyXGUSGXYTMCIWOI-ZHCAKQDLSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-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)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine
CID 129313080
(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
CID 129313612
(4E)-1-fluoro-3-methoxy-4-[(Z)-3-(oxan-4-yl)prop-1-enyl]hepta-4,6-dien-2-amine
CID 129313626
(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
CID 129313631
3-Fluoro-1-methoxy-1-[4-[2-(trimethyl-lambda4-sulfanyl)ethynyl]cyclohexa-1,5-dien-1-yl]propan-2-amine
CID 134316462
1-[(3-Ethyl-4-fluoro-5,7-dimethylcyclohepta-1,3,5-trien-1-yl)methoxy]propan-2-amine
CID 134389784
(3Z,5E)-5-(2-amino-3-fluoro-1-methoxypropyl)octa-3,5,7-trien-1-ol
CID 143418356
1-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine
CID 145467293
4-Fluoro-6-pentan-2-yloxycyclohexa-2,4-dien-1-amine
CID 148191835
1-(1,6-Dimethylphenoxy)-2-aminopropane
CID 129724544
6-Methoxy-4,5,6-trimethylcyclohexa-2,4-dien-1-amine
CID 22065600
1-(1-Ethoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 70059595

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine?
The IUPAC name of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine (CID 143418433) is (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine.
What is the SMILES notation for (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine?
The canonical SMILES for (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine is C=C/C=C(\C=C/C(C)CC)C(OC)C(N)CF.
What is the InChIKey of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine?
The InChIKey is XGUSGXYTMCIWOI-ZHCAKQDLSA-N. The full InChI is InChI=1S/C14H24FNO/c1-5-7-12(9-8-11(3)6-2)14(17-4)13(16)10-15/h5,7-9,11,13-14H,1,6,10,16H2,2-4H3/b9-8-,12-7+.
What are the key properties of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine?
(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine has a molecular weight of 241.35 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine is sourced from PubChem (CID 143418433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).