(3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine

C20H37FN2O — CID 155347373

IUPAC(3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine
SMILESCCC(/C=C\COCCF)=C(\CCNCCC1CCCCC1)NC
InChIInChI=1S/C20H37FN2O/c1-3-19(10-7-16-24-17-13-21)20(22-2)12-15-23-14-11-18-8-5-4-6-9-18/h7,10,18,22-23H,3-6,8-9,11-17H2,1-2H3/b10-7-,20-19-
InChIKeyHDWUOITZACNARF-SVGVNVSTSA-N
MW340.53 g/mol
LogP4.36
Rot. Bonds13

About (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine

(3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine (PubChem CID 155347373) has the molecular formula C20H37FN2O and a molecular weight of 340.53 g/mol. Its IUPAC name is (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name(3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine
PubChem CID155347373
Molecular FormulaC20H37FN2O
Molecular Weight340.53 g/mol
Exact Mass340.29
IUPAC Name(3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine
SMILESCCC(/C=C\COCCF)=C(\CCNCCC1CCCCC1)NC
InChIInChI=1S/C20H37FN2O/c1-3-19(10-7-16-24-17-13-21)20(22-2)12-15-23-14-11-18-8-5-4-6-9-18/h7,10,18,22-23H,3-6,8-9,11-17H2,1-2H3/b10-7-,20-19-
InChIKeyHDWUOITZACNARF-SVGVNVSTSA-N
XLogP4.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine with MolForge

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Related Compounds

(3Z)-4-fluoro-N,6-dimethyl-7-[2-methyl-4-methylidene-5-[2-(propoxymethyl)prop-2-enyl]-2,3-dihydro-1H-pyridin-3-yl]hepta-1,3,6-trien-3-amine
CID 138563998
2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene
CID 142952586

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine?
The IUPAC name of (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine (CID 155347373) is (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine.
What is the SMILES notation for (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine?
The canonical SMILES for (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine is CCC(/C=C\COCCF)=C(\CCNCCC1CCCCC1)NC.
What is the InChIKey of (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine?
The InChIKey is HDWUOITZACNARF-SVGVNVSTSA-N. The full InChI is InChI=1S/C20H37FN2O/c1-3-19(10-7-16-24-17-13-21)20(22-2)12-15-23-14-11-18-8-5-4-6-9-18/h7,10,18,22-23H,3-6,8-9,11-17H2,1-2H3/b10-7-,20-19-.
What are the key properties of (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine?
(3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine has a molecular weight of 340.53 g/mol, XLogP of 4.36, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-N-(2-cyclohexylethyl)-4-ethyl-7-(2-fluoroethoxy)-3-N-methylhepta-3,5-diene-1,3-diamine is sourced from PubChem (CID 155347373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).