N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine

C13H22N2S — CID 102640727

IUPACN-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCc1scnc1C)CNCC
InChIInChI=1S/C13H22N2S/c1-5-13(4,9-14-6-2)8-7-12-11(3)15-10-16-12/h5,10,14H,1,6-9H2,2-4H3
InChIKeyDVEDAYWWNJISJN-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.19
Rot. Bonds7

About N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine

N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine (PubChem CID 102640727) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
PubChem CID102640727
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCc1scnc1C)CNCC
InChIInChI=1S/C13H22N2S/c1-5-13(4,9-14-6-2)8-7-12-11(3)15-10-16-12/h5,10,14H,1,6-9H2,2-4H3
InChIKeyDVEDAYWWNJISJN-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102641549
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
CID 65379325
ethyl 2-cyano-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoate
CID 114290119
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 55106894
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526694
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62444186
diethyl 2-ethyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanedioate
CID 103972970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine (CID 102640727) is N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine is C=CC(C)(CCc1scnc1C)CNCC.
What is the InChIKey of N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
The InChIKey is DVEDAYWWNJISJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-13(4,9-14-6-2)8-7-12-11(3)15-10-16-12/h5,10,14H,1,6-9H2,2-4H3.
What are the key properties of N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).