(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile

C14H24N2 — CID 119025800

IUPAC(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
SMILESCC(C)C[C@](C)(C#N)[C@](C)(C#N)CC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3/t13-,14+
InChIKeyZSQZMKLXZYSHCK-OKILXGFUSA-N
MW220.36 g/mol
LogP4.14
Rot. Bonds5

About (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile

(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile (PubChem CID 119025800) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
PubChem CID119025800
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
SMILESCC(C)C[C@](C)(C#N)[C@](C)(C#N)CC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3/t13-,14+
InChIKeyZSQZMKLXZYSHCK-OKILXGFUSA-N
XLogP4.14
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-2,4-dimethylpentanenitrile
CID 58298002
N-(2,4,6-trimethylheptan-4-yl)methanimine
CID 142214459
2,2,4-trimethylhexanedinitrile
CID 59281697
4-hydroxy-4,6-dimethylheptanenitrile
CID 14900500
2,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanenitrile
CID 154092400
(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile
CID 130978536
N-(2,4-dimethylpentan-2-yl)methanimine
CID 146407592
[2-(2-cyanoprop-2-enoyloxy)-4-methylpentan-2-yl] 2-cyanoprop-2-enoate
CID 141308506
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
CID 174450797
CID 174450797
(2S)-2-hydroxy-2,5-dimethylhexanenitrile
CID 71347470
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
CID 61005955

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
The IUPAC name of (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile (CID 119025800) is (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile.
What is the SMILES notation for (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
The canonical SMILES for (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile is CC(C)C[C@](C)(C#N)[C@](C)(C#N)CC(C)C.
What is the InChIKey of (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
The InChIKey is ZSQZMKLXZYSHCK-OKILXGFUSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3/t13-,14+.
What are the key properties of (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile has a molecular weight of 220.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile is sourced from PubChem (CID 119025800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).