(2S)-2-amino-4-methylpentanenitrile;hydrochloride

C6H13ClN2 — CID 18436321

IUPAC(2S)-2-amino-4-methylpentanenitrile;hydrochloride
SMILESCC(C)C[C@H](N)C#N.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5(2)3-6(8)4-7;/h5-6H,3,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyAEYTXGCLZAJPCX-RGMNGODLSA-N
MW148.64 g/mol
LogP1.31
Rot. Bonds2

About (2S)-2-amino-4-methylpentanenitrile;hydrochloride

(2S)-2-amino-4-methylpentanenitrile;hydrochloride (PubChem CID 18436321) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanenitrile;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanenitrile;hydrochloride
PubChem CID18436321
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name(2S)-2-amino-4-methylpentanenitrile;hydrochloride
SMILESCC(C)C[C@H](N)C#N.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5(2)3-6(8)4-7;/h5-6H,3,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyAEYTXGCLZAJPCX-RGMNGODLSA-N
XLogP1.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanenitrile;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methylpentanenitrile;hydrochloride (CID 18436321) is (2S)-2-amino-4-methylpentanenitrile;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methylpentanenitrile;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methylpentanenitrile;hydrochloride is CC(C)C[C@H](N)C#N.Cl.
What is the InChIKey of (2S)-2-amino-4-methylpentanenitrile;hydrochloride?
The InChIKey is AEYTXGCLZAJPCX-RGMNGODLSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-5(2)3-6(8)4-7;/h5-6H,3,8H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanenitrile;hydrochloride?
(2S)-2-amino-4-methylpentanenitrile;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanenitrile;hydrochloride is sourced from PubChem (CID 18436321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).