2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine

C20H43NS2 — CID 3428035

IUPAC2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
SMILESCCCCCCCCCCCCSCCNCCSCCCC
InChIInChI=1S/C20H43NS2/c1-3-5-7-8-9-10-11-12-13-14-18-23-20-16-21-15-19-22-17-6-4-2/h21H,3-20H2,1-2H3
InChIKeyRMMQORWWQAZJKG-UHFFFAOYSA-N
MW361.71 g/mol
LogP6.76
Rot. Bonds20

About 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine

2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine (PubChem CID 3428035) has the molecular formula C20H43NS2 and a molecular weight of 361.71 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
PubChem CID3428035
Molecular FormulaC20H43NS2
Molecular Weight361.71 g/mol
Exact Mass361.28
IUPAC Name2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
SMILESCCCCCCCCCCCCSCCNCCSCCCC
InChIInChI=1S/C20H43NS2/c1-3-5-7-8-9-10-11-12-13-14-18-23-20-16-21-15-19-22-17-6-4-2/h21H,3-20H2,1-2H3
InChIKeyRMMQORWWQAZJKG-UHFFFAOYSA-N
XLogP6.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.71
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine 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

N'-(2-butylsulfanylethyl)ethane-1,2-diamine
CID 11275341
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
1-tetracosylsulfanyltetracosane
CID 14647813
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine?
The IUPAC name of 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine (CID 3428035) is 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine?
The canonical SMILES for 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine is CCCCCCCCCCCCSCCNCCSCCCC.
What is the InChIKey of 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine?
The InChIKey is RMMQORWWQAZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NS2/c1-3-5-7-8-9-10-11-12-13-14-18-23-20-16-21-15-19-22-17-6-4-2/h21H,3-20H2,1-2H3.
What are the key properties of 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine?
2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine has a molecular weight of 361.71 g/mol, XLogP of 6.76, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine is sourced from PubChem (CID 3428035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).