2-aminoethanol;3-(methylamino)propanenitrile

C6H15N3O — CID 19981000

IUPAC2-aminoethanol;3-(methylamino)propanenitrile
SMILESCNCCC#N.NCCO
InChIInChI=1S/C4H8N2.C2H7NO/c1-6-4-2-3-5;3-1-2-4/h6H,2,4H2,1H3;4H,1-3H2
InChIKeyRFHLKCHVFJYVKG-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.94
Rot. Bonds3

About 2-aminoethanol;3-(methylamino)propanenitrile

2-aminoethanol;3-(methylamino)propanenitrile (PubChem CID 19981000) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-aminoethanol;3-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-aminoethanol;3-(methylamino)propanenitrile
PubChem CID19981000
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name2-aminoethanol;3-(methylamino)propanenitrile
SMILESCNCCC#N.NCCO
InChIInChI=1S/C4H8N2.C2H7NO/c1-6-4-2-3-5;3-1-2-4/h6H,2,4H2,1H3;4H,1-3H2
InChIKeyRFHLKCHVFJYVKG-UHFFFAOYSA-N
XLogP-0.94
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
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 2-aminoethanol;3-(methylamino)propanenitrile?
The IUPAC name of 2-aminoethanol;3-(methylamino)propanenitrile (CID 19981000) is 2-aminoethanol;3-(methylamino)propanenitrile.
What is the SMILES notation for 2-aminoethanol;3-(methylamino)propanenitrile?
The canonical SMILES for 2-aminoethanol;3-(methylamino)propanenitrile is CNCCC#N.NCCO.
What is the InChIKey of 2-aminoethanol;3-(methylamino)propanenitrile?
The InChIKey is RFHLKCHVFJYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.C2H7NO/c1-6-4-2-3-5;3-1-2-4/h6H,2,4H2,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;3-(methylamino)propanenitrile?
2-aminoethanol;3-(methylamino)propanenitrile has a molecular weight of 145.21 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;3-(methylamino)propanenitrile is sourced from PubChem (CID 19981000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).