5-ethylsulfanylhexan-1-amine

C8H19NS — CID 138478357

IUPAC5-ethylsulfanylhexan-1-amine
SMILESCCSC(C)CCCCN
InChIInChI=1S/C8H19NS/c1-3-10-8(2)6-4-5-7-9/h8H,3-7,9H2,1-2H3
InChIKeyXUSNVUYTLVDPKK-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.26
Rot. Bonds6

About 5-ethylsulfanylhexan-1-amine

5-ethylsulfanylhexan-1-amine (PubChem CID 138478357) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 5-ethylsulfanylhexan-1-amine.

Molecular Properties

Compound Name5-ethylsulfanylhexan-1-amine
PubChem CID138478357
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name5-ethylsulfanylhexan-1-amine
SMILESCCSC(C)CCCCN
InChIInChI=1S/C8H19NS/c1-3-10-8(2)6-4-5-7-9/h8H,3-7,9H2,1-2H3
InChIKeyXUSNVUYTLVDPKK-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.26
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

11-(octyldisulfanyl)dodecan-1-amine
CID 89196568
5-N,5-N-diethylhexane-1,5-diamine
CID 20587648
dodecan-1-amine;dodecan-2-amine
CID 88815564
5,9-dimethyloctadecan-1-amine
CID 174923758
36-methylheptatriacontan-1-amine
CID 134324173
undecane-1,6-diamine
CID 18419788
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011
5-hexyldodecan-1-amine
CID 129015386
9,10-dioctylhenicosan-1-amine
CID 123803716
ethane;5-methylheptan-1-amine
CID 143088899
2-ethylsulfanylbutane
CID 521270

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanylhexan-1-amine?
The IUPAC name of 5-ethylsulfanylhexan-1-amine (CID 138478357) is 5-ethylsulfanylhexan-1-amine.
What is the SMILES notation for 5-ethylsulfanylhexan-1-amine?
The canonical SMILES for 5-ethylsulfanylhexan-1-amine is CCSC(C)CCCCN.
What is the InChIKey of 5-ethylsulfanylhexan-1-amine?
The InChIKey is XUSNVUYTLVDPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-3-10-8(2)6-4-5-7-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 5-ethylsulfanylhexan-1-amine?
5-ethylsulfanylhexan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanylhexan-1-amine is sourced from PubChem (CID 138478357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).