(Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine

C14H26N2S — CID 154930359

IUPAC(Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine
SMILESC=CCC(/C=C\N)CCC(CCNC=C)SC
InChIInChI=1S/C14H26N2S/c1-4-6-13(9-11-15)7-8-14(17-3)10-12-16-5-2/h4-5,9,11,13-14,16H,1-2,6-8,10,12,15H2,3H3/b11-9-
InChIKeyYAQSUHQJJRFGOF-LUAWRHEFSA-N
MW254.44 g/mol
LogP3.29
Rot. Bonds11

About (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine

(Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine (PubChem CID 154930359) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine.

Molecular Properties

Compound Name(Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine
PubChem CID154930359
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name(Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine
SMILESC=CCC(/C=C\N)CCC(CCNC=C)SC
InChIInChI=1S/C14H26N2S/c1-4-6-13(9-11-15)7-8-14(17-3)10-12-16-5-2/h4-5,9,11,13-14,16H,1-2,6-8,10,12,15H2,3H3/b11-9-
InChIKeyYAQSUHQJJRFGOF-LUAWRHEFSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine?
The IUPAC name of (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine (CID 154930359) is (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine.
What is the SMILES notation for (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine?
The canonical SMILES for (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine is C=CCC(/C=C\N)CCC(CCNC=C)SC.
What is the InChIKey of (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine?
The InChIKey is YAQSUHQJJRFGOF-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-6-13(9-11-15)7-8-14(17-3)10-12-16-5-2/h4-5,9,11,13-14,16H,1-2,6-8,10,12,15H2,3H3/b11-9-.
What are the key properties of (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine?
(Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-6-methylsulfanyl-3-prop-2-enyloct-1-ene-1,8-diamine is sourced from PubChem (CID 154930359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).