2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine

C15H28N2S — CID 55106894

IUPAC2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCc1scnc1C)CNC
InChIInChI=1S/C15H28N2S/c1-5-7-9-15(6-2,11-16-4)10-8-14-13(3)17-12-18-14/h12,16H,5-11H2,1-4H3
InChIKeyHPDGCTLYLNWKCX-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.19
Rot. Bonds9

About 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine

2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine (PubChem CID 55106894) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
PubChem CID55106894
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCc1scnc1C)CNC
InChIInChI=1S/C15H28N2S/c1-5-7-9-15(6-2,11-16-4)10-8-14-13(3)17-12-18-14/h12,16H,5-11H2,1-4H3
InChIKeyHPDGCTLYLNWKCX-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
CID 65379325
N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102640727
diethyl 2-ethyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanedioate
CID 103972970
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
5-[3-benzyl-4-bromo-3-(bromomethyl)butyl]-4-methyl-1,3-thiazole
CID 79452852
2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 114004588
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine (CID 55106894) is 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine is CCCCC(CC)(CCc1scnc1C)CNC.
What is the InChIKey of 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
The InChIKey is HPDGCTLYLNWKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-7-9-15(6-2,11-16-4)10-8-14-13(3)17-12-18-14/h12,16H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 55106894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).