4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine

C17H32N2S — CID 114868550

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
SMILESCNC(CC(C)C)(CC(C)C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H32N2S/c1-12(2)9-17(18-8,10-13(3)4)15-19-14(11-20-15)16(5,6)7/h11-13,18H,9-10H2,1-8H3
InChIKeyYNWJPZYSPABZIG-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.95
Rot. Bonds6

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine

4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine (PubChem CID 114868550) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
PubChem CID114868550
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
SMILESCNC(CC(C)C)(CC(C)C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H32N2S/c1-12(2)9-17(18-8,10-13(3)4)15-19-14(11-20-15)16(5,6)7/h11-13,18H,9-10H2,1-8H3
InChIKeyYNWJPZYSPABZIG-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
CID 61332734
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
CID 61332465
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832562
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine
CID 62534931
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-3-amine
CID 62544110
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine
CID 114832560
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429503
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
CID 82714724

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine (CID 114868550) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine is CNC(CC(C)C)(CC(C)C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine?
The InChIKey is YNWJPZYSPABZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-12(2)9-17(18-8,10-13(3)4)15-19-14(11-20-15)16(5,6)7/h11-13,18H,9-10H2,1-8H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine has a molecular weight of 296.52 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine is sourced from PubChem (CID 114868550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).