3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine

C11H21NS — CID 139304724

IUPAC3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine
SMILESCC/C=C(/C)C1(NC(C)C)SC1C
InChIInChI=1S/C11H21NS/c1-6-7-9(4)11(10(5)13-11)12-8(2)3/h7-8,10,12H,6H2,1-5H3/b9-7-
InChIKeyGSCQQGYBMSTAGC-CLFYSBASSA-N
MW199.36 g/mol
LogP3.17
Rot. Bonds4

About 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine

3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine (PubChem CID 139304724) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine.

Molecular Properties

Compound Name3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine
PubChem CID139304724
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine
SMILESCC/C=C(/C)C1(NC(C)C)SC1C
InChIInChI=1S/C11H21NS/c1-6-7-9(4)11(10(5)13-11)12-8(2)3/h7-8,10,12H,6H2,1-5H3/b9-7-
InChIKeyGSCQQGYBMSTAGC-CLFYSBASSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942
N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]cyclopropanamine
CID 89672843
(5S)-5-[bis(ethylsulfanyl)methyl]-2,3-dimethyl-2,5-dihydro-1H-pyrrole
CID 91522422
2,4,6-triethyl-3,4-dihydro-2H-1,3-thiazine
CID 149700863
4-methyl-N-(1-methylsulfanylpropan-2-yl)pent-3-en-1-amine
CID 155315040
N-methyl-2-[(E)-2-methylhept-2-enyl]sulfanylethanamine
CID 156047027
5-[(Z)-but-2-en-2-yl]sulfanyl-N,2-dimethylhex-1-en-3-amine
CID 156206947
(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine
CID 163672391
(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine
CID 174266296
5-[bis(ethylsulfanyl)methyl]-2,3-dimethyl-2,5-dihydro-1H-pyrrole
CID 20805131

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine?
The IUPAC name of 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine (CID 139304724) is 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine.
What is the SMILES notation for 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine?
The canonical SMILES for 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine is CC/C=C(/C)C1(NC(C)C)SC1C.
What is the InChIKey of 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine?
The InChIKey is GSCQQGYBMSTAGC-CLFYSBASSA-N. The full InChI is InChI=1S/C11H21NS/c1-6-7-9(4)11(10(5)13-11)12-8(2)3/h7-8,10,12H,6H2,1-5H3/b9-7-.
What are the key properties of 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine?
3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine has a molecular weight of 199.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine is sourced from PubChem (CID 139304724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).