N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine

C18H34N2S — CID 83151543

IUPACN-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CNC(C)(C)C)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C18H34N2S/c1-13(2)18(9,12-19-17(6,7)8)10-15-20-14(11-21-15)16(3,4)5/h11,13,19H,10,12H2,1-9H3
InChIKeyTUGQJKRIXPNFMV-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.03
Rot. Bonds5

About N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine

N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 83151543) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID83151543
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC NameN-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CNC(C)(C)C)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C18H34N2S/c1-13(2)18(9,12-19-17(6,7)8)10-15-20-14(11-21-15)16(3,4)5/h11,13,19H,10,12H2,1-9H3
InChIKeyTUGQJKRIXPNFMV-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151196
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150871
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83150869
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115401016
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
CID 83150850
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 79817008
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149488
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
CID 82714724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine (CID 83151543) is N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)(CNC(C)(C)C)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is TUGQJKRIXPNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-13(2)18(9,12-19-17(6,7)8)10-15-20-14(11-21-15)16(3,4)5/h11,13,19H,10,12H2,1-9H3.
What are the key properties of N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine?
N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 310.55 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83151543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).