3-amino-4,4-dimethylpentanenitrile;hydrochloride

C7H15ClN2 — CID 87235043

IUPAC3-amino-4,4-dimethylpentanenitrile;hydrochloride
SMILESCC(C)(C)C(N)CC#N.Cl
InChIInChI=1S/C7H14N2.ClH/c1-7(2,3)6(9)4-5-8;/h6H,4,9H2,1-3H3;1H
InChIKeyNREAWOOWYLKUED-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.70
Rot. Bonds1

About 3-amino-4,4-dimethylpentanenitrile;hydrochloride

3-amino-4,4-dimethylpentanenitrile;hydrochloride (PubChem CID 87235043) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 3-amino-4,4-dimethylpentanenitrile;hydrochloride.

Molecular Properties

Compound Name3-amino-4,4-dimethylpentanenitrile;hydrochloride
PubChem CID87235043
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name3-amino-4,4-dimethylpentanenitrile;hydrochloride
SMILESCC(C)(C)C(N)CC#N.Cl
InChIInChI=1S/C7H14N2.ClH/c1-7(2,3)6(9)4-5-8;/h6H,4,9H2,1-3H3;1H
InChIKeyNREAWOOWYLKUED-UHFFFAOYSA-N
XLogP1.70
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethylpentanenitrile;hydrochloride?
The IUPAC name of 3-amino-4,4-dimethylpentanenitrile;hydrochloride (CID 87235043) is 3-amino-4,4-dimethylpentanenitrile;hydrochloride.
What is the SMILES notation for 3-amino-4,4-dimethylpentanenitrile;hydrochloride?
The canonical SMILES for 3-amino-4,4-dimethylpentanenitrile;hydrochloride is CC(C)(C)C(N)CC#N.Cl.
What is the InChIKey of 3-amino-4,4-dimethylpentanenitrile;hydrochloride?
The InChIKey is NREAWOOWYLKUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-7(2,3)6(9)4-5-8;/h6H,4,9H2,1-3H3;1H.
What are the key properties of 3-amino-4,4-dimethylpentanenitrile;hydrochloride?
3-amino-4,4-dimethylpentanenitrile;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethylpentanenitrile;hydrochloride is sourced from PubChem (CID 87235043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).