2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine

C13H24N2S — CID 64993737

IUPAC2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine
SMILESCC(NC(C)(C)CC(C)(C)C)c1nccs1
InChIInChI=1S/C13H24N2S/c1-10(11-14-7-8-16-11)15-13(5,6)9-12(2,3)4/h7-8,10,15H,9H2,1-6H3
InChIKeyUUMANQREABGLBL-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.01
Rot. Bonds4

About 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine

2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine (PubChem CID 64993737) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine
PubChem CID64993737
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine
SMILESCC(NC(C)(C)CC(C)(C)C)c1nccs1
InChIInChI=1S/C13H24N2S/c1-10(11-14-7-8-16-11)15-13(5,6)9-12(2,3)4/h7-8,10,15H,9H2,1-6H3
InChIKeyUUMANQREABGLBL-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79557977
N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63600035
2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 65253484
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine (CID 64993737) is 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine is CC(NC(C)(C)CC(C)(C)C)c1nccs1.
What is the InChIKey of 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine?
The InChIKey is UUMANQREABGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10(11-14-7-8-16-11)15-13(5,6)9-12(2,3)4/h7-8,10,15H,9H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine?
2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 64993737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).