(2S)-2-(15N)azanyl-3-methylbutanenitrile

C5H10N2 — CID 101019785

IUPAC(2S)-2-(15N)azanyl-3-methylbutanenitrile
SMILESCC(C)[C@H]([15NH2])C#N
InChIInChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3/t5-/m1/s1/i7+1
InChIKeyZMMPZEFSSVTIIW-RFBVFTEYSA-N
MW99.14 g/mol
LogP0.49
Rot. Bonds1

About (2S)-2-(15N)azanyl-3-methylbutanenitrile

(2S)-2-(15N)azanyl-3-methylbutanenitrile (PubChem CID 101019785) has the molecular formula C5H10N2 and a molecular weight of 99.14 g/mol. Its IUPAC name is (2S)-2-(15N)azanyl-3-methylbutanenitrile.

Molecular Properties

Compound Name(2S)-2-(15N)azanyl-3-methylbutanenitrile
PubChem CID101019785
Molecular FormulaC5H10N2
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name(2S)-2-(15N)azanyl-3-methylbutanenitrile
SMILESCC(C)[C@H]([15NH2])C#N
InChIInChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3/t5-/m1/s1/i7+1
InChIKeyZMMPZEFSSVTIIW-RFBVFTEYSA-N
XLogP0.49
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diaminobutanedinitrile
CID 14416612
(2S)-2-aminopropanenitrile;hydrochloride
CID 71757440
(3S)-4-methylpent-1-yn-3-amine
CID 11579133
(2S,3S)-2-amino-3-hydroxybutanedinitrile
CID 89261510
2-amino-3-hydroxybutanedinitrile
CID 22352992
hydron;bis(2-methylpropanenitrile)
CID 174938927
2-methylpropanedinitrile
CID 19425
azane;bis(2-methylpropanenitrile)
CID 146171697
3-amino-2-chlorobutanenitrile;hydrochloride
CID 88711137
3-methyl-2-sulfanylbutanenitrile
CID 144612060
2-(3-methylbutan-2-yl)propanedinitrile
CID 11788325
2,4-dimethyl-3-propan-2-ylpentanenitrile
CID 59610837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(15N)azanyl-3-methylbutanenitrile?
The IUPAC name of (2S)-2-(15N)azanyl-3-methylbutanenitrile (CID 101019785) is (2S)-2-(15N)azanyl-3-methylbutanenitrile.
What is the SMILES notation for (2S)-2-(15N)azanyl-3-methylbutanenitrile?
The canonical SMILES for (2S)-2-(15N)azanyl-3-methylbutanenitrile is CC(C)[C@H]([15NH2])C#N.
What is the InChIKey of (2S)-2-(15N)azanyl-3-methylbutanenitrile?
The InChIKey is ZMMPZEFSSVTIIW-RFBVFTEYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3/t5-/m1/s1/i7+1.
What are the key properties of (2S)-2-(15N)azanyl-3-methylbutanenitrile?
(2S)-2-(15N)azanyl-3-methylbutanenitrile has a molecular weight of 99.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(15N)azanyl-3-methylbutanenitrile is sourced from PubChem (CID 101019785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).