5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine

C12H21N3S — CID 63380520

IUPAC5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine
SMILESCCC(N)C(Sc1cnccn1)C(C)(C)C
InChIInChI=1S/C12H21N3S/c1-5-9(13)11(12(2,3)4)16-10-8-14-6-7-15-10/h6-9,11H,5,13H2,1-4H3
InChIKeyHWVBSDQUZDSWBJ-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.72
Rot. Bonds4

About 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine

5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine (PubChem CID 63380520) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine
PubChem CID63380520
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine
SMILESCCC(N)C(Sc1cnccn1)C(C)(C)C
InChIInChI=1S/C12H21N3S/c1-5-9(13)11(12(2,3)4)16-10-8-14-6-7-15-10/h6-9,11H,5,13H2,1-4H3
InChIKeyHWVBSDQUZDSWBJ-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine?
The IUPAC name of 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine (CID 63380520) is 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine?
The canonical SMILES for 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine is CCC(N)C(Sc1cnccn1)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine?
The InChIKey is HWVBSDQUZDSWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-9(13)11(12(2,3)4)16-10-8-14-6-7-15-10/h6-9,11H,5,13H2,1-4H3.
What are the key properties of 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine?
5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine has a molecular weight of 239.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-pyrazin-2-ylsulfanylhexan-3-amine is sourced from PubChem (CID 63380520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).