1-ethylsulfanylhex-5-en-2-amine

C8H17NS — CID 65127956

IUPAC1-ethylsulfanylhex-5-en-2-amine
SMILESC=CCCC(N)CSCC
InChIInChI=1S/C8H17NS/c1-3-5-6-8(9)7-10-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyZWTUXKNOTMUMTP-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.03
Rot. Bonds6

About 1-ethylsulfanylhex-5-en-2-amine

1-ethylsulfanylhex-5-en-2-amine (PubChem CID 65127956) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-ethylsulfanylhex-5-en-2-amine.

Molecular Properties

Compound Name1-ethylsulfanylhex-5-en-2-amine
PubChem CID65127956
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-ethylsulfanylhex-5-en-2-amine
SMILESC=CCCC(N)CSCC
InChIInChI=1S/C8H17NS/c1-3-5-6-8(9)7-10-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyZWTUXKNOTMUMTP-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfanyl-N-methylhex-5-en-2-amine
CID 65127590
1-ethylsulfanyl-5,5-dimethylhexan-2-amine
CID 65128014
(4S)-octa-1,7-dien-4-amine
CID 124537914
1-prop-2-enylsulfanylbutan-2-amine
CID 66228457
1-ethylsulfanyl-4-methylsulfonylbutan-2-amine
CID 65127514
buta-1,3-diene;ethylsulfanylethane
CID 88659093
1-cyclobutyl-3-ethylsulfanylpropan-2-amine
CID 65457451
(4R)-non-8-en-4-amine
CID 10796847
(4S)-non-8-en-4-amine
CID 10678342
1-propylsulfanylhex-5-en-2-ol
CID 65129712
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
4,5-dimethylnon-8-en-2-amine
CID 123559752

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylhex-5-en-2-amine?
The IUPAC name of 1-ethylsulfanylhex-5-en-2-amine (CID 65127956) is 1-ethylsulfanylhex-5-en-2-amine.
What is the SMILES notation for 1-ethylsulfanylhex-5-en-2-amine?
The canonical SMILES for 1-ethylsulfanylhex-5-en-2-amine is C=CCCC(N)CSCC.
What is the InChIKey of 1-ethylsulfanylhex-5-en-2-amine?
The InChIKey is ZWTUXKNOTMUMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-5-6-8(9)7-10-4-2/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 1-ethylsulfanylhex-5-en-2-amine?
1-ethylsulfanylhex-5-en-2-amine has a molecular weight of 159.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylhex-5-en-2-amine is sourced from PubChem (CID 65127956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).