N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine

C13H24N2S — CID 61330202

IUPACN-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine
SMILESCCNC(CC)(CC(C)CC)c1nccs1
InChIInChI=1S/C13H24N2S/c1-5-11(4)10-13(6-2,15-7-3)12-14-8-9-16-12/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyDGOLEGZTFVCIOU-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.79
Rot. Bonds7

About N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine

N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine (PubChem CID 61330202) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine
PubChem CID61330202
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine
SMILESCCNC(CC)(CC(C)CC)c1nccs1
InChIInChI=1S/C13H24N2S/c1-5-11(4)10-13(6-2,15-7-3)12-14-8-9-16-12/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyDGOLEGZTFVCIOU-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine?
The IUPAC name of N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine (CID 61330202) is N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine.
What is the SMILES notation for N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine?
The canonical SMILES for N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine is CCNC(CC)(CC(C)CC)c1nccs1.
What is the InChIKey of N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine?
The InChIKey is DGOLEGZTFVCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-11(4)10-13(6-2,15-7-3)12-14-8-9-16-12/h8-9,11,15H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine?
N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine is sourced from PubChem (CID 61330202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).