(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine

C10H21NS — CID 167045695

IUPAC(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine
SMILESC/C=C\CC(CNCC)CSC
InChIInChI=1S/C10H21NS/c1-4-6-7-10(9-12-3)8-11-5-2/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-
InChIKeyLHZVBCGOELUFSS-XQRVVYSFSA-N
MW187.35 g/mol
LogP2.54
Rot. Bonds7

About (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine

(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine (PubChem CID 167045695) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine
PubChem CID167045695
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine
SMILESC/C=C\CC(CNCC)CSC
InChIInChI=1S/C10H21NS/c1-4-6-7-10(9-12-3)8-11-5-2/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-
InChIKeyLHZVBCGOELUFSS-XQRVVYSFSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.54
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

N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
CID 171800093
N-ethyl-2-(fluoromethyl)pent-4-en-1-amine
CID 174262352
N-ethylbut-2-en-1-amine;hydrochloride
CID 155653042
(Z,2S)-2-ethylhex-4-en-1-ol
CID 89381426
5-ethyloct-2-ene
CID 54276882
5-butylnon-2-ene
CID 175055679
1-N-ethyl-2-N,3-dimethyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112665752
(E)-N-ethylpent-3-en-1-amine;hydrochloride
CID 155386330
N-(methylsulfanylmethyl)ethanamine
CID 59124426
2-chloro-N-ethylbutan-1-amine
CID 57191582
(E)-5-methylhept-2-ene
CID 5364849

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine (CID 167045695) is (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine is C/C=C\CC(CNCC)CSC.
What is the InChIKey of (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine?
The InChIKey is LHZVBCGOELUFSS-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-6-7-10(9-12-3)8-11-5-2/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-.
What are the key properties of (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine?
(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine is sourced from PubChem (CID 167045695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).