6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine

C11H21N3S — CID 43664025

IUPAC6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine
SMILESCC(C)CCCC(C)NCc1csnn1
InChIInChI=1S/C11H21N3S/c1-9(2)5-4-6-10(3)12-7-11-8-15-14-13-11/h8-10,12H,4-7H2,1-3H3
InChIKeyQFWFBIYVBPYQEQ-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.84
Rot. Bonds7

About 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine

6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine (PubChem CID 43664025) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine
PubChem CID43664025
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine
SMILESCC(C)CCCC(C)NCc1csnn1
InChIInChI=1S/C11H21N3S/c1-9(2)5-4-6-10(3)12-7-11-8-15-14-13-11/h8-10,12H,4-7H2,1-3H3
InChIKeyQFWFBIYVBPYQEQ-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine?
The IUPAC name of 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine (CID 43664025) is 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine.
What is the SMILES notation for 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine?
The canonical SMILES for 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine is CC(C)CCCC(C)NCc1csnn1.
What is the InChIKey of 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine?
The InChIKey is QFWFBIYVBPYQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(2)5-4-6-10(3)12-7-11-8-15-14-13-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine?
6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(thiadiazol-4-ylmethyl)heptan-2-amine is sourced from PubChem (CID 43664025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).