ethylamino(hex-5-enylsulfanyl)methanol

C9H19NOS — CID 163422640

IUPACethylamino(hex-5-enylsulfanyl)methanol
SMILESC=CCCCCSC(O)NCC
InChIInChI=1S/C9H19NOS/c1-3-5-6-7-8-12-9(11)10-4-2/h3,9-11H,1,4-8H2,2H3
InChIKeyAJTCHWLVUJKDOW-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.96
Rot. Bonds8

About ethylamino(hex-5-enylsulfanyl)methanol

ethylamino(hex-5-enylsulfanyl)methanol (PubChem CID 163422640) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is ethylamino(hex-5-enylsulfanyl)methanol.

Molecular Properties

Compound Nameethylamino(hex-5-enylsulfanyl)methanol
PubChem CID163422640
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Nameethylamino(hex-5-enylsulfanyl)methanol
SMILESC=CCCCCSC(O)NCC
InChIInChI=1S/C9H19NOS/c1-3-5-6-7-8-12-9(11)10-4-2/h3,9-11H,1,4-8H2,2H3
InChIKeyAJTCHWLVUJKDOW-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-propan-2-ylsulfanylhept-1-ene
CID 23466756
4-hex-5-enylsulfanylbutan-1-ol
CID 132567975
N-ethylethanamine;non-1-ene
CID 87089176
6-propylsulfanylhex-1-ene
CID 23466654
octadec-1-ene;propane-1,2,3-triol
CID 87523216
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadecane;octadec-1-ene
CID 162018238

Frequently Asked Questions

What is the IUPAC name of ethylamino(hex-5-enylsulfanyl)methanol?
The IUPAC name of ethylamino(hex-5-enylsulfanyl)methanol (CID 163422640) is ethylamino(hex-5-enylsulfanyl)methanol.
What is the SMILES notation for ethylamino(hex-5-enylsulfanyl)methanol?
The canonical SMILES for ethylamino(hex-5-enylsulfanyl)methanol is C=CCCCCSC(O)NCC.
What is the InChIKey of ethylamino(hex-5-enylsulfanyl)methanol?
The InChIKey is AJTCHWLVUJKDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-5-6-7-8-12-9(11)10-4-2/h3,9-11H,1,4-8H2,2H3.
What are the key properties of ethylamino(hex-5-enylsulfanyl)methanol?
ethylamino(hex-5-enylsulfanyl)methanol has a molecular weight of 189.32 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino(hex-5-enylsulfanyl)methanol is sourced from PubChem (CID 163422640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).