2-amino-4-methylpent-3-enenitrile

C6H10N2 — CID 14425423

IUPAC2-amino-4-methylpent-3-enenitrile
SMILESCC(C)=CC(N)C#N
InChIInChI=1S/C6H10N2/c1-5(2)3-6(8)4-7/h3,6H,8H2,1-2H3
InChIKeySLWCJTWQTBPPDJ-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.80
Rot. Bonds1

About 2-amino-4-methylpent-3-enenitrile

2-amino-4-methylpent-3-enenitrile (PubChem CID 14425423) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-amino-4-methylpent-3-enenitrile.

Molecular Properties

Compound Name2-amino-4-methylpent-3-enenitrile
PubChem CID14425423
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-amino-4-methylpent-3-enenitrile
SMILESCC(C)=CC(N)C#N
InChIInChI=1S/C6H10N2/c1-5(2)3-6(8)4-7/h3,6H,8H2,1-2H3
InChIKeySLWCJTWQTBPPDJ-UHFFFAOYSA-N
XLogP0.80
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-4-methylpent-3-enenitrile?
The IUPAC name of 2-amino-4-methylpent-3-enenitrile (CID 14425423) is 2-amino-4-methylpent-3-enenitrile.
What is the SMILES notation for 2-amino-4-methylpent-3-enenitrile?
The canonical SMILES for 2-amino-4-methylpent-3-enenitrile is CC(C)=CC(N)C#N.
What is the InChIKey of 2-amino-4-methylpent-3-enenitrile?
The InChIKey is SLWCJTWQTBPPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)3-6(8)4-7/h3,6H,8H2,1-2H3.
What are the key properties of 2-amino-4-methylpent-3-enenitrile?
2-amino-4-methylpent-3-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpent-3-enenitrile is sourced from PubChem (CID 14425423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).