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

C15H26N2S — CID 102641549

IUPAC2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCc1scnc1C)CNCC(C)C
InChIInChI=1S/C15H26N2S/c1-6-15(5,10-16-9-12(2)3)8-7-14-13(4)17-11-18-14/h6,11-12,16H,1,7-10H2,2-5H3
InChIKeyUKHUUQAIPQVKHD-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.82
Rot. Bonds8

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

2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine (PubChem CID 102641549) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
PubChem CID102641549
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCc1scnc1C)CNCC(C)C
InChIInChI=1S/C15H26N2S/c1-6-15(5,10-16-9-12(2)3)8-7-14-13(4)17-11-18-14/h6,11-12,16H,1,7-10H2,2-5H3
InChIKeyUKHUUQAIPQVKHD-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.82
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

N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102640727
3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 83139639
2-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-en-1-amine
CID 103014875
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
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949
2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
CID 102641460
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
CID 106457337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine (CID 102641549) is 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine is C=CC(C)(CCc1scnc1C)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
The InChIKey is UKHUUQAIPQVKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-6-15(5,10-16-9-12(2)3)8-7-14-13(4)17-11-18-14/h6,11-12,16H,1,7-10H2,2-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine?
2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102641549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).