2-amino-2-methylpent-4-enenitrile

C6H10N2 — CID 88512279

IUPAC2-amino-2-methylpent-4-enenitrile
SMILESC=CCC(C)(N)C#N
InChIInChI=1S/C6H10N2/c1-3-4-6(2,8)5-7/h3H,1,4,8H2,2H3
InChIKeySTJDHGCWBFLCGM-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.80
Rot. Bonds2

About 2-amino-2-methylpent-4-enenitrile

2-amino-2-methylpent-4-enenitrile (PubChem CID 88512279) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-amino-2-methylpent-4-enenitrile.

Molecular Properties

Compound Name2-amino-2-methylpent-4-enenitrile
PubChem CID88512279
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-amino-2-methylpent-4-enenitrile
SMILESC=CCC(C)(N)C#N
InChIInChI=1S/C6H10N2/c1-3-4-6(2,8)5-7/h3H,1,4,8H2,2H3
InChIKeySTJDHGCWBFLCGM-UHFFFAOYSA-N
XLogP0.80
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpent-4-enenitrile?
The IUPAC name of 2-amino-2-methylpent-4-enenitrile (CID 88512279) is 2-amino-2-methylpent-4-enenitrile.
What is the SMILES notation for 2-amino-2-methylpent-4-enenitrile?
The canonical SMILES for 2-amino-2-methylpent-4-enenitrile is C=CCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methylpent-4-enenitrile?
The InChIKey is STJDHGCWBFLCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-6(2,8)5-7/h3H,1,4,8H2,2H3.
What are the key properties of 2-amino-2-methylpent-4-enenitrile?
2-amino-2-methylpent-4-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpent-4-enenitrile is sourced from PubChem (CID 88512279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).