(Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine

C15H29NS — CID 166859086

IUPAC(Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine
SMILESC=C(CC(CC)CCCCCC)S/C=C(/C)N
InChIInChI=1S/C15H29NS/c1-5-7-8-9-10-15(6-2)11-14(4)17-12-13(3)16/h12,15H,4-11,16H2,1-3H3/b13-12-
InChIKeyOCKPKGZBEXRQEJ-SEYXRHQNSA-N
MW255.47 g/mol
LogP5.44
Rot. Bonds10

About (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine

(Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine (PubChem CID 166859086) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine
PubChem CID166859086
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name(Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine
SMILESC=C(CC(CC)CCCCCC)S/C=C(/C)N
InChIInChI=1S/C15H29NS/c1-5-7-8-9-10-15(6-2)11-14(4)17-12-13(3)16/h12,15H,4-11,16H2,1-3H3/b13-12-
InChIKeyOCKPKGZBEXRQEJ-SEYXRHQNSA-N
XLogP5.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-propoxynon-1-ene
CID 156639952
methyl 3-ethyldecanoate
CID 154021576
2-ethylhexyl 3-hexylundecanoate
CID 23148711
dioctyl 3-ethyltridecanedioate
CID 87117223
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
3-ethylhexadecanoic acid
CID 14298660
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
2-ethyltridecyl propanoate
CID 172787512
dibutyl 3-ethyltridecanedioate
CID 87116234
3-tetradecylheptadecanamide
CID 89491134
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine (CID 166859086) is (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine is C=C(CC(CC)CCCCCC)S/C=C(/C)N.
What is the InChIKey of (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine?
The InChIKey is OCKPKGZBEXRQEJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H29NS/c1-5-7-8-9-10-15(6-2)11-14(4)17-12-13(3)16/h12,15H,4-11,16H2,1-3H3/b13-12-.
What are the key properties of (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine?
(Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine has a molecular weight of 255.47 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine is sourced from PubChem (CID 166859086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).