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

C14H26N2S — CID 55144256

IUPAC2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1cnc(C)s1
InChIInChI=1S/C14H26N2S/c1-5-7-8-14(6-2,11-15-4)9-13-10-16-12(3)17-13/h10,15H,5-9,11H2,1-4H3
InChIKeyFHWHBDCQEPNLBA-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.80
Rot. Bonds8

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

2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine (PubChem CID 55144256) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine
PubChem CID55144256
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1cnc(C)s1
InChIInChI=1S/C14H26N2S/c1-5-7-8-14(6-2,11-15-4)9-13-10-16-12(3)17-13/h10,15H,5-9,11H2,1-4H3
InChIKeyFHWHBDCQEPNLBA-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine (CID 55144256) is 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine is CCCCC(CC)(CNC)Cc1cnc(C)s1.
What is the InChIKey of 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine?
The InChIKey is FHWHBDCQEPNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-7-8-14(6-2,11-15-4)9-13-10-16-12(3)17-13/h10,15H,5-9,11H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine?
2-ethyl-N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.80, 8 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-methyl-1,3-thiazol-5-yl)methyl]hexan-1-amine is sourced from PubChem (CID 55144256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).