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

C6H12N2 — CID 11789166

IUPAC(2S)-2-amino-4-methylpentanenitrile
SMILESCC(C)C[C@H](N)C#N
InChIInChI=1S/C6H12N2/c1-5(2)3-6(8)4-7/h5-6H,3,8H2,1-2H3/t6-/m0/s1
InChIKeyROAHGHLLRAUFEQ-LURJTMIESA-N
MW112.18 g/mol
LogP0.88
Rot. Bonds2

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

(2S)-2-amino-4-methylpentanenitrile (PubChem CID 11789166) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanenitrile.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanenitrile
PubChem CID11789166
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(2S)-2-amino-4-methylpentanenitrile
SMILESCC(C)C[C@H](N)C#N
InChIInChI=1S/C6H12N2/c1-5(2)3-6(8)4-7/h5-6H,3,8H2,1-2H3/t6-/m0/s1
InChIKeyROAHGHLLRAUFEQ-LURJTMIESA-N
XLogP0.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-3-methylbutanenitrile
CID 10419137
2-Aminopentanenitrile
CID 10171288
2-Amino-4-methylpentanenitrile
CID 13352438
2-Amino-4-methylpentanenitrile hydrochloride
CID 13352439
2-Amino-2-cyclopropylacetonitrile hydrochloride
CID 18417020
(2R)-2-amino-3-methylbutanenitrile hydrochloride
CID 18436312
3-Aminocyclobutane-1-carbonitrile hydrochloride
CID 91663849
(2S)-2-amino-3-methylbutanenitrile hydrochloride
CID 75467573
(S)-2-amino-3-methylbutanenitrile
CID 12296530
2-Amino-3-methylpentanenitrile
CID 13760530
4-Aminopentanenitrile
CID 76223546
2-Amino-2-cyclopropylacetonitrile
CID 11240433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanenitrile?
The IUPAC name of (2S)-2-amino-4-methylpentanenitrile (CID 11789166) is (2S)-2-amino-4-methylpentanenitrile.
What is the SMILES notation for (2S)-2-amino-4-methylpentanenitrile?
The canonical SMILES for (2S)-2-amino-4-methylpentanenitrile is CC(C)C[C@H](N)C#N.
What is the InChIKey of (2S)-2-amino-4-methylpentanenitrile?
The InChIKey is ROAHGHLLRAUFEQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)3-6(8)4-7/h5-6H,3,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylpentanenitrile?
(2S)-2-amino-4-methylpentanenitrile has a molecular weight of 112.18 g/mol, XLogP of 0.88, 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 is sourced from PubChem (CID 11789166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).