11-decylsulfanylundecan-1-amine

C21H45NS — CID 71359638

IUPAC11-decylsulfanylundecan-1-amine
SMILESCCCCCCCCCCSCCCCCCCCCCCN
InChIInChI=1S/C21H45NS/c1-2-3-4-5-6-11-14-17-20-23-21-18-15-12-9-7-8-10-13-16-19-22/h2-22H2,1H3
InChIKeyAADXQQFEAZNSGC-UHFFFAOYSA-N
MW343.67 g/mol
LogP7.33
Rot. Bonds20

About 11-decylsulfanylundecan-1-amine

11-decylsulfanylundecan-1-amine (PubChem CID 71359638) has the molecular formula C21H45NS and a molecular weight of 343.67 g/mol. Its IUPAC name is 11-decylsulfanylundecan-1-amine.

Molecular Properties

Compound Name11-decylsulfanylundecan-1-amine
PubChem CID71359638
Molecular FormulaC21H45NS
Molecular Weight343.67 g/mol
Exact Mass343.33
IUPAC Name11-decylsulfanylundecan-1-amine
SMILESCCCCCCCCCCSCCCCCCCCCCCN
InChIInChI=1S/C21H45NS/c1-2-3-4-5-6-11-14-17-20-23-21-18-15-12-9-7-8-10-13-16-19-22/h2-22H2,1H3
InChIKeyAADXQQFEAZNSGC-UHFFFAOYSA-N
XLogP7.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-decylsulfanylundecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pentylsulfanylbutan-1-amine
CID 82180242
2-undecylsulfanylethanamine
CID 57215239
1-hexylsulfanyloctadecane
CID 21424485
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of 11-decylsulfanylundecan-1-amine?
The IUPAC name of 11-decylsulfanylundecan-1-amine (CID 71359638) is 11-decylsulfanylundecan-1-amine.
What is the SMILES notation for 11-decylsulfanylundecan-1-amine?
The canonical SMILES for 11-decylsulfanylundecan-1-amine is CCCCCCCCCCSCCCCCCCCCCCN.
What is the InChIKey of 11-decylsulfanylundecan-1-amine?
The InChIKey is AADXQQFEAZNSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NS/c1-2-3-4-5-6-11-14-17-20-23-21-18-15-12-9-7-8-10-13-16-19-22/h2-22H2,1H3.
What are the key properties of 11-decylsulfanylundecan-1-amine?
11-decylsulfanylundecan-1-amine has a molecular weight of 343.67 g/mol, XLogP of 7.33, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-decylsulfanylundecan-1-amine is sourced from PubChem (CID 71359638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).