2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine

C11H21N3S — CID 43663984

IUPAC2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1csnn1
InChIInChI=1S/C11H21N3S/c1-3-5-6-10(4-2)7-12-8-11-9-15-14-13-11/h9-10,12H,3-8H2,1-2H3
InChIKeyAMBAHJYSXCMABI-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.84
Rot. Bonds8

About 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine

2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine (PubChem CID 43663984) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine
PubChem CID43663984
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1csnn1
InChIInChI=1S/C11H21N3S/c1-3-5-6-10(4-2)7-12-8-11-9-15-14-13-11/h9-10,12H,3-8H2,1-2H3
InChIKeyAMBAHJYSXCMABI-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine (CID 43663984) is 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine is CCCCC(CC)CNCc1csnn1.
What is the InChIKey of 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine?
The InChIKey is AMBAHJYSXCMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-5-6-10(4-2)7-12-8-11-9-15-14-13-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine?
2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(thiadiazol-4-ylmethyl)hexan-1-amine is sourced from PubChem (CID 43663984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).