3-amino-3-methylbutanenitrile;hydrochloride

C5H11ClN2 — CID 167722692

IUPAC3-amino-3-methylbutanenitrile;hydrochloride
SMILESCC(C)(N)CC#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-5(2,7)3-4-6;/h3,7H2,1-2H3;1H
InChIKeyVSRTUQGHOMSKKU-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.06
Rot. Bonds1

About 3-amino-3-methylbutanenitrile;hydrochloride

3-amino-3-methylbutanenitrile;hydrochloride (PubChem CID 167722692) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 3-amino-3-methylbutanenitrile;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methylbutanenitrile;hydrochloride
PubChem CID167722692
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name3-amino-3-methylbutanenitrile;hydrochloride
SMILESCC(C)(N)CC#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-5(2,7)3-4-6;/h3,7H2,1-2H3;1H
InChIKeyVSRTUQGHOMSKKU-UHFFFAOYSA-N
XLogP1.06
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylbutanenitrile;hydrochloride?
The IUPAC name of 3-amino-3-methylbutanenitrile;hydrochloride (CID 167722692) is 3-amino-3-methylbutanenitrile;hydrochloride.
What is the SMILES notation for 3-amino-3-methylbutanenitrile;hydrochloride?
The canonical SMILES for 3-amino-3-methylbutanenitrile;hydrochloride is CC(C)(N)CC#N.Cl.
What is the InChIKey of 3-amino-3-methylbutanenitrile;hydrochloride?
The InChIKey is VSRTUQGHOMSKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-5(2,7)3-4-6;/h3,7H2,1-2H3;1H.
What are the key properties of 3-amino-3-methylbutanenitrile;hydrochloride?
3-amino-3-methylbutanenitrile;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylbutanenitrile;hydrochloride is sourced from PubChem (CID 167722692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).