3-aminopropanenitrile;3-(methylamino)propanenitrile

C7H14N4 — CID 18629772

IUPAC3-aminopropanenitrile;3-(methylamino)propanenitrile
SMILESCNCCC#N.N#CCCN
InChIInChI=1S/C4H8N2.C3H6N2/c1-6-4-2-3-5;4-2-1-3-5/h6H,2,4H2,1H3;1-2,4H2
InChIKeyWXQVFMQKYQQURJ-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.02
Rot. Bonds3

About 3-aminopropanenitrile;3-(methylamino)propanenitrile

3-aminopropanenitrile;3-(methylamino)propanenitrile (PubChem CID 18629772) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 3-aminopropanenitrile;3-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-aminopropanenitrile;3-(methylamino)propanenitrile
PubChem CID18629772
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name3-aminopropanenitrile;3-(methylamino)propanenitrile
SMILESCNCCC#N.N#CCCN
InChIInChI=1S/C4H8N2.C3H6N2/c1-6-4-2-3-5;4-2-1-3-5/h6H,2,4H2,1H3;1-2,4H2
InChIKeyWXQVFMQKYQQURJ-UHFFFAOYSA-N
XLogP-0.02
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropanenitrile;3-(methylamino)propanenitrile?
The IUPAC name of 3-aminopropanenitrile;3-(methylamino)propanenitrile (CID 18629772) is 3-aminopropanenitrile;3-(methylamino)propanenitrile.
What is the SMILES notation for 3-aminopropanenitrile;3-(methylamino)propanenitrile?
The canonical SMILES for 3-aminopropanenitrile;3-(methylamino)propanenitrile is CNCCC#N.N#CCCN.
What is the InChIKey of 3-aminopropanenitrile;3-(methylamino)propanenitrile?
The InChIKey is WXQVFMQKYQQURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.C3H6N2/c1-6-4-2-3-5;4-2-1-3-5/h6H,2,4H2,1H3;1-2,4H2.
What are the key properties of 3-aminopropanenitrile;3-(methylamino)propanenitrile?
3-aminopropanenitrile;3-(methylamino)propanenitrile has a molecular weight of 154.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanenitrile;3-(methylamino)propanenitrile is sourced from PubChem (CID 18629772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).