(2S,3R)-3-methyl-2-propylhexanenitrile

C10H19N — CID 89095709

IUPAC(2S,3R)-3-methyl-2-propylhexanenitrile
SMILESCCC[C@@H](C)[C@@H](C#N)CCC
InChIInChI=1S/C10H19N/c1-4-6-9(3)10(8-11)7-5-2/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyOVJMPRQPPFOEBS-NXEZZACHSA-N
MW153.27 g/mol
LogP3.36
Rot. Bonds5

About (2S,3R)-3-methyl-2-propylhexanenitrile

(2S,3R)-3-methyl-2-propylhexanenitrile (PubChem CID 89095709) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-propylhexanenitrile.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-propylhexanenitrile
PubChem CID89095709
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S,3R)-3-methyl-2-propylhexanenitrile
SMILESCCC[C@@H](C)[C@@H](C#N)CCC
InChIInChI=1S/C10H19N/c1-4-6-9(3)10(8-11)7-5-2/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyOVJMPRQPPFOEBS-NXEZZACHSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-propylhexanenitrile?
The IUPAC name of (2S,3R)-3-methyl-2-propylhexanenitrile (CID 89095709) is (2S,3R)-3-methyl-2-propylhexanenitrile.
What is the SMILES notation for (2S,3R)-3-methyl-2-propylhexanenitrile?
The canonical SMILES for (2S,3R)-3-methyl-2-propylhexanenitrile is CCC[C@@H](C)[C@@H](C#N)CCC.
What is the InChIKey of (2S,3R)-3-methyl-2-propylhexanenitrile?
The InChIKey is OVJMPRQPPFOEBS-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-9(3)10(8-11)7-5-2/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-propylhexanenitrile?
(2S,3R)-3-methyl-2-propylhexanenitrile has a molecular weight of 153.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-propylhexanenitrile is sourced from PubChem (CID 89095709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).