2-undecylsulfanylethanamine

C13H29NS — CID 57215239

IUPAC2-undecylsulfanylethanamine
SMILESCCCCCCCCCCCSCCN
InChIInChI=1S/C13H29NS/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14/h2-14H2,1H3
InChIKeyWUNNATFCUSEGHG-UHFFFAOYSA-N
MW231.45 g/mol
LogP4.21
Rot. Bonds12

About 2-undecylsulfanylethanamine

2-undecylsulfanylethanamine (PubChem CID 57215239) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is 2-undecylsulfanylethanamine.

Molecular Properties

Compound Name2-undecylsulfanylethanamine
PubChem CID57215239
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC Name2-undecylsulfanylethanamine
SMILESCCCCCCCCCCCSCCN
InChIInChI=1S/C13H29NS/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14/h2-14H2,1H3
InChIKeyWUNNATFCUSEGHG-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 54.21
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

11-decylsulfanylundecan-1-amine
CID 71359638
4-pentylsulfanylbutan-1-amine
CID 82180242
2-butylsulfanylethanamine;ethane
CID 145193609
1-tetracosylsulfanyltetracosane
CID 14647813
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-tetracosylsulfanyloctacosane
CID 87077758

Frequently Asked Questions

What is the IUPAC name of 2-undecylsulfanylethanamine?
The IUPAC name of 2-undecylsulfanylethanamine (CID 57215239) is 2-undecylsulfanylethanamine.
What is the SMILES notation for 2-undecylsulfanylethanamine?
The canonical SMILES for 2-undecylsulfanylethanamine is CCCCCCCCCCCSCCN.
What is the InChIKey of 2-undecylsulfanylethanamine?
The InChIKey is WUNNATFCUSEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14/h2-14H2,1H3.
What are the key properties of 2-undecylsulfanylethanamine?
2-undecylsulfanylethanamine has a molecular weight of 231.45 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylsulfanylethanamine is sourced from PubChem (CID 57215239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).