3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine

C13H24N2S — CID 112645570

IUPAC3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1cncs1
InChIInChI=1S/C13H24N2S/c1-11(2)8-14-6-5-13(3,4)7-12-9-15-10-16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyJLLVYWVPWSGAIN-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.35
Rot. Bonds7

About 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine

3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine (PubChem CID 112645570) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
PubChem CID112645570
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1cncs1
InChIInChI=1S/C13H24N2S/c1-11(2)8-14-6-5-13(3,4)7-12-9-15-10-16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyJLLVYWVPWSGAIN-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 112644099
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81033944
4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034530
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112644687
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine (CID 112645570) is 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine is CC(C)CNCCC(C)(C)Cc1cncs1.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is JLLVYWVPWSGAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11(2)8-14-6-5-13(3,4)7-12-9-15-10-16-12/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 112645570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).