(2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile

C10H16N2 — CID 71816169

IUPAC(2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile
SMILESCC[C@](C)(C#N)[C@](C)(C#N)CC
InChIInChI=1S/C10H16N2/c1-5-9(3,7-11)10(4,6-2)8-12/h5-6H2,1-4H3/t9-,10+
InChIKeyYPKRPUBUHLHYRJ-AOOOYVTPSA-N
MW164.25 g/mol
LogP2.87
Rot. Bonds3

About (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile

(2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile (PubChem CID 71816169) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile.

Molecular Properties

Compound Name(2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile
PubChem CID71816169
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile
SMILESCC[C@](C)(C#N)[C@](C)(C#N)CC
InChIInChI=1S/C10H16N2/c1-5-9(3,7-11)10(4,6-2)8-12/h5-6H2,1-4H3/t9-,10+
InChIKeyYPKRPUBUHLHYRJ-AOOOYVTPSA-N
XLogP2.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile?
The IUPAC name of (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile (CID 71816169) is (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile.
What is the SMILES notation for (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile?
The canonical SMILES for (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile is CC[C@](C)(C#N)[C@](C)(C#N)CC.
What is the InChIKey of (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile?
The InChIKey is YPKRPUBUHLHYRJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(3,7-11)10(4,6-2)8-12/h5-6H2,1-4H3/t9-,10+.
What are the key properties of (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile?
(2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile has a molecular weight of 164.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-diethyl-2,3-dimethylbutanedinitrile is sourced from PubChem (CID 71816169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).