4-(ethylaminomethyl)hex-5-ene-2-thiol

C9H19NS — CID 123443695

IUPAC4-(ethylaminomethyl)hex-5-ene-2-thiol
SMILESC=CC(CNCC)CC(C)S
InChIInChI=1S/C9H19NS/c1-4-9(6-8(3)11)7-10-5-2/h4,8-11H,1,5-7H2,2-3H3
InChIKeySIWVICSNZHFXTL-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.11
Rot. Bonds6

About 4-(ethylaminomethyl)hex-5-ene-2-thiol

4-(ethylaminomethyl)hex-5-ene-2-thiol (PubChem CID 123443695) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-(ethylaminomethyl)hex-5-ene-2-thiol.

Molecular Properties

Compound Name4-(ethylaminomethyl)hex-5-ene-2-thiol
PubChem CID123443695
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-(ethylaminomethyl)hex-5-ene-2-thiol
SMILESC=CC(CNCC)CC(C)S
InChIInChI=1S/C9H19NS/c1-4-9(6-8(3)11)7-10-5-2/h4,8-11H,1,5-7H2,2-3H3
InChIKeySIWVICSNZHFXTL-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(But-3-enylamino)-3-methylpentyl] thiohypofluorite
CID 143981397
2-methyl-N-prop-2-enylhex-5-en-1-amine
CID 11228913
N-but-3-enyl-2-methylhex-5-en-1-amine
CID 11367216
Methyl(2-methylhex-5-en-1-yl)amine
CID 17825002
N-ethyl-2-methylhept-6-en-1-amine
CID 17825107
N-but-3-enyl-4-methylpentan-1-amine
CID 64315354
2-methyl-N-propylhex-5-en-1-amine
CID 64664558
Cyclohex-2-en-1-yl(methylamino)methanethiol
CID 89294413
3-[(Z)-2-methylsulfanylethenyl]piperidine
CID 89363452
(Z)-5-(ethylamino)-4-methylpent-1-ene-1-thiol
CID 89583688
(Z)-3-methyl-4-methylidene-2-[2-(propylamino)ethyl]hex-1-ene-1-thiol
CID 130244098
4-Methyl-5-(propylamino)pent-1-ene-2-thiol
CID 134463903

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)hex-5-ene-2-thiol?
The IUPAC name of 4-(ethylaminomethyl)hex-5-ene-2-thiol (CID 123443695) is 4-(ethylaminomethyl)hex-5-ene-2-thiol.
What is the SMILES notation for 4-(ethylaminomethyl)hex-5-ene-2-thiol?
The canonical SMILES for 4-(ethylaminomethyl)hex-5-ene-2-thiol is C=CC(CNCC)CC(C)S.
What is the InChIKey of 4-(ethylaminomethyl)hex-5-ene-2-thiol?
The InChIKey is SIWVICSNZHFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-9(6-8(3)11)7-10-5-2/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of 4-(ethylaminomethyl)hex-5-ene-2-thiol?
4-(ethylaminomethyl)hex-5-ene-2-thiol has a molecular weight of 173.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)hex-5-ene-2-thiol is sourced from PubChem (CID 123443695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).