3-[hexyl(methyl)amino]propane-1-thiol

C10H23NS — CID 23362422

IUPAC3-[hexyl(methyl)amino]propane-1-thiol
SMILESCCCCCCN(C)CCCS
InChIInChI=1S/C10H23NS/c1-3-4-5-6-8-11(2)9-7-10-12/h12H,3-10H2,1-2H3
InChIKeyLTOZIFPGUXIVGV-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.82
Rot. Bonds8

About 3-[hexyl(methyl)amino]propane-1-thiol

3-[hexyl(methyl)amino]propane-1-thiol (PubChem CID 23362422) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 3-[hexyl(methyl)amino]propane-1-thiol.

Molecular Properties

Compound Name3-[hexyl(methyl)amino]propane-1-thiol
PubChem CID23362422
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name3-[hexyl(methyl)amino]propane-1-thiol
SMILESCCCCCCN(C)CCCS
InChIInChI=1S/C10H23NS/c1-3-4-5-6-8-11(2)9-7-10-12/h12H,3-10H2,1-2H3
InChIKeyLTOZIFPGUXIVGV-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-[butyl(methyl)amino]nonane-1-thiol
CID 105344024
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597

Frequently Asked Questions

What is the IUPAC name of 3-[hexyl(methyl)amino]propane-1-thiol?
The IUPAC name of 3-[hexyl(methyl)amino]propane-1-thiol (CID 23362422) is 3-[hexyl(methyl)amino]propane-1-thiol.
What is the SMILES notation for 3-[hexyl(methyl)amino]propane-1-thiol?
The canonical SMILES for 3-[hexyl(methyl)amino]propane-1-thiol is CCCCCCN(C)CCCS.
What is the InChIKey of 3-[hexyl(methyl)amino]propane-1-thiol?
The InChIKey is LTOZIFPGUXIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-3-4-5-6-8-11(2)9-7-10-12/h12H,3-10H2,1-2H3.
What are the key properties of 3-[hexyl(methyl)amino]propane-1-thiol?
3-[hexyl(methyl)amino]propane-1-thiol has a molecular weight of 189.37 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexyl(methyl)amino]propane-1-thiol is sourced from PubChem (CID 23362422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).