(2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine

C12H18FN — CID 155244296

IUPAC(2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine
SMILESC=C(F)/C=C\C(=C/CC)\C(=C\C)NC
InChIInChI=1S/C12H18FN/c1-5-7-11(9-8-10(3)13)12(6-2)14-4/h6-9,14H,3,5H2,1-2,4H3/b9-8-,11-7+,12-6-
InChIKeyBKKGFYQKXZGUKR-SCQZQLKGSA-N
MW195.28 g/mol
LogP3.49
Rot. Bonds5

About (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine

(2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine (PubChem CID 155244296) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine.

Molecular Properties

Compound Name(2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine
PubChem CID155244296
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine
SMILESC=C(F)/C=C\C(=C/CC)\C(=C\C)NC
InChIInChI=1S/C12H18FN/c1-5-7-11(9-8-10(3)13)12(6-2)14-4/h6-9,14H,3,5H2,1-2,4H3/b9-8-,11-7+,12-6-
InChIKeyBKKGFYQKXZGUKR-SCQZQLKGSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine with MolForge

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Related Compounds

2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
(3R)-2,7-difluoro-N,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130224811

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine?
The IUPAC name of (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine (CID 155244296) is (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine.
What is the SMILES notation for (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine?
The canonical SMILES for (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine is C=C(F)/C=C\C(=C/CC)\C(=C\C)NC.
What is the InChIKey of (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine?
The InChIKey is BKKGFYQKXZGUKR-SCQZQLKGSA-N. The full InChI is InChI=1S/C12H18FN/c1-5-7-11(9-8-10(3)13)12(6-2)14-4/h6-9,14H,3,5H2,1-2,4H3/b9-8-,11-7+,12-6-.
What are the key properties of (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine?
(2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine has a molecular weight of 195.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-7-fluoro-N-methyl-4-propylideneocta-2,5,7-trien-3-amine is sourced from PubChem (CID 155244296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).