6-butylsulfanylhexan-2-amine

C10H23NS — CID 64611512

IUPAC6-butylsulfanylhexan-2-amine
SMILESCCCCSCCCCC(C)N
InChIInChI=1S/C10H23NS/c1-3-4-8-12-9-6-5-7-10(2)11/h10H,3-9,11H2,1-2H3
InChIKeyBAWUQVXQCMCLBU-UHFFFAOYSA-N
MW189.37 g/mol
LogP3.04
Rot. Bonds8

About 6-butylsulfanylhexan-2-amine

6-butylsulfanylhexan-2-amine (PubChem CID 64611512) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 6-butylsulfanylhexan-2-amine.

Molecular Properties

Compound Name6-butylsulfanylhexan-2-amine
PubChem CID64611512
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name6-butylsulfanylhexan-2-amine
SMILESCCCCSCCCCC(C)N
InChIInChI=1S/C10H23NS/c1-3-4-8-12-9-6-5-7-10(2)11/h10H,3-9,11H2,1-2H3
InChIKeyBAWUQVXQCMCLBU-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 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 ≤ 53.04
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

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
6-(2-methoxyethylsulfanyl)hexan-2-amine
CID 64615572
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
5-(3-methylbutylsulfanyl)pentan-2-amine
CID 107764237
nonadecane-2,14-diamine
CID 89095951
CID 88794374
CID 88794374
1-butylsulfanylbutane;hydroiodide
CID 160789075
docosane-2,21-diamine
CID 150079956
dodecan-1-amine;dodecan-2-amine
CID 88815564

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanylhexan-2-amine?
The IUPAC name of 6-butylsulfanylhexan-2-amine (CID 64611512) is 6-butylsulfanylhexan-2-amine.
What is the SMILES notation for 6-butylsulfanylhexan-2-amine?
The canonical SMILES for 6-butylsulfanylhexan-2-amine is CCCCSCCCCC(C)N.
What is the InChIKey of 6-butylsulfanylhexan-2-amine?
The InChIKey is BAWUQVXQCMCLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-3-4-8-12-9-6-5-7-10(2)11/h10H,3-9,11H2,1-2H3.
What are the key properties of 6-butylsulfanylhexan-2-amine?
6-butylsulfanylhexan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanylhexan-2-amine is sourced from PubChem (CID 64611512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).