N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

C14H26N2S — CID 83150869

IUPACN-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)C(C)(CNC(C)(C)C)Cc1cscn1
InChIInChI=1S/C14H26N2S/c1-11(2)14(6,9-16-13(3,4)5)7-12-8-17-10-15-12/h8,10-11,16H,7,9H2,1-6H3
InChIKeyNHSRTAONFHLBIR-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.74
Rot. Bonds5

About N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 83150869) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID83150869
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)C(C)(CNC(C)(C)C)Cc1cscn1
InChIInChI=1S/C14H26N2S/c1-11(2)14(6,9-16-13(3,4)5)7-12-8-17-10-15-12/h8,10-11,16H,7,9H2,1-6H3
InChIKeyNHSRTAONFHLBIR-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 83151543
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62425924
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
4-(2,2,2-trichloroethyl)-1,3-thiazole
CID 90764072
N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 83160468
4-[2,2-bis(chloromethyl)-4-methylpentyl]-1,3-thiazole
CID 79447024
2-methyl-N-propyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
CID 62724415
2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 106488537
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139055
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115925247

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 83150869) is N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is CC(C)C(C)(CNC(C)(C)C)Cc1cscn1.
What is the InChIKey of N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is NHSRTAONFHLBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)14(6,9-16-13(3,4)5)7-12-8-17-10-15-12/h8,10-11,16H,7,9H2,1-6H3.
What are the key properties of N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 83150869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).