N-undecylsulfanylethanamine

C13H29NS — CID 21248622

IUPACN-undecylsulfanylethanamine
SMILESCCCCCCCCCCCSNCC
InChIInChI=1S/C13H29NS/c1-3-5-6-7-8-9-10-11-12-13-15-14-4-2/h14H,3-13H2,1-2H3
InChIKeyQUJSFGYHUUAELD-UHFFFAOYSA-N
MW231.45 g/mol
LogP4.77
Rot. Bonds12

About N-undecylsulfanylethanamine

N-undecylsulfanylethanamine (PubChem CID 21248622) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is N-undecylsulfanylethanamine.

Molecular Properties

Compound NameN-undecylsulfanylethanamine
PubChem CID21248622
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC NameN-undecylsulfanylethanamine
SMILESCCCCCCCCCCCSNCC
InChIInChI=1S/C13H29NS/c1-3-5-6-7-8-9-10-11-12-13-15-14-4-2/h14H,3-13H2,1-2H3
InChIKeyQUJSFGYHUUAELD-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptylsulfanylethanamine
CID 167262676
N-pentylsulfanylhydroxylamine
CID 88662679
N-propylsulfanylnonan-1-amine
CID 150399571
1-hexylsulfanyloctane
CID 15742910
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491

Frequently Asked Questions

What is the IUPAC name of N-undecylsulfanylethanamine?
The IUPAC name of N-undecylsulfanylethanamine (CID 21248622) is N-undecylsulfanylethanamine.
What is the SMILES notation for N-undecylsulfanylethanamine?
The canonical SMILES for N-undecylsulfanylethanamine is CCCCCCCCCCCSNCC.
What is the InChIKey of N-undecylsulfanylethanamine?
The InChIKey is QUJSFGYHUUAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-3-5-6-7-8-9-10-11-12-13-15-14-4-2/h14H,3-13H2,1-2H3.
What are the key properties of N-undecylsulfanylethanamine?
N-undecylsulfanylethanamine has a molecular weight of 231.45 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecylsulfanylethanamine is sourced from PubChem (CID 21248622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).