2-amino-4-methylpentanenitrile

C6H12N2 — CID 13352438

IUPAC2-amino-4-methylpentanenitrile
SMILESCC(C)CC(N)C#N
InChIInChI=1S/C6H12N2/c1-5(2)3-6(8)4-7/h5-6H,3,8H2,1-2H3
InChIKeyROAHGHLLRAUFEQ-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.88
Rot. Bonds2

About 2-amino-4-methylpentanenitrile

2-amino-4-methylpentanenitrile (PubChem CID 13352438) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-amino-4-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-methylpentanenitrile
PubChem CID13352438
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-amino-4-methylpentanenitrile
SMILESCC(C)CC(N)C#N
InChIInChI=1S/C6H12N2/c1-5(2)3-6(8)4-7/h5-6H,3,8H2,1-2H3
InChIKeyROAHGHLLRAUFEQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanenitrile?
The IUPAC name of 2-amino-4-methylpentanenitrile (CID 13352438) is 2-amino-4-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-methylpentanenitrile?
The canonical SMILES for 2-amino-4-methylpentanenitrile is CC(C)CC(N)C#N.
What is the InChIKey of 2-amino-4-methylpentanenitrile?
The InChIKey is ROAHGHLLRAUFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)3-6(8)4-7/h5-6H,3,8H2,1-2H3.
What are the key properties of 2-amino-4-methylpentanenitrile?
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 2-amino-4-methylpentanenitrile is sourced from PubChem (CID 13352438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).