3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile

C8H14N2O — CID 63296355

IUPAC3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile
SMILESN#CCCNCC(O)C1CC1
InChIInChI=1S/C8H14N2O/c9-4-1-5-10-6-8(11)7-2-3-7/h7-8,10-11H,1-3,5-6H2
InChIKeyYWYZHLPNGBSSCN-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.26
Rot. Bonds5

About 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile

3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile (PubChem CID 63296355) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile
PubChem CID63296355
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile
SMILESN#CCCNCC(O)C1CC1
InChIInChI=1S/C8H14N2O/c9-4-1-5-10-6-8(11)7-2-3-7/h7-8,10-11H,1-3,5-6H2
InChIKeyYWYZHLPNGBSSCN-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile (CID 63296355) is 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile is N#CCCNCC(O)C1CC1.
What is the InChIKey of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile?
The InChIKey is YWYZHLPNGBSSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-4-1-5-10-6-8(11)7-2-3-7/h7-8,10-11H,1-3,5-6H2.
What are the key properties of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile?
3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile is sourced from PubChem (CID 63296355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).