2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride

C5H11ClN2O — CID 88790067

IUPAC2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
SMILESCOCC(C)(N)C#N.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-5(7,3-6)4-8-2;/h4,7H2,1-2H3;1H
InChIKeyLAJHFCHZFWHKCF-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.30
Rot. Bonds2

About 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride

2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride (PubChem CID 88790067) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
PubChem CID88790067
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
SMILESCOCC(C)(N)C#N.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-5(7,3-6)4-8-2;/h4,7H2,1-2H3;1H
InChIKeyLAJHFCHZFWHKCF-UHFFFAOYSA-N
XLogP0.30
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride (CID 88790067) is 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride is COCC(C)(N)C#N.Cl.
What is the InChIKey of 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride?
The InChIKey is LAJHFCHZFWHKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c1-5(7,3-6)4-8-2;/h4,7H2,1-2H3;1H.
What are the key properties of 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride?
2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride is sourced from PubChem (CID 88790067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).