3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile

C10H17ClN2O — CID 63665035

IUPAC3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile
SMILESN#CCCN(CCOCCCl)C1CC1
InChIInChI=1S/C10H17ClN2O/c11-4-8-14-9-7-13(6-1-5-12)10-2-3-10/h10H,1-4,6-9H2
InChIKeyUUYUYLNOMZMZDH-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.62
Rot. Bonds8

About 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile

3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile (PubChem CID 63665035) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile
PubChem CID63665035
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile
SMILESN#CCCN(CCOCCCl)C1CC1
InChIInChI=1S/C10H17ClN2O/c11-4-8-14-9-7-13(6-1-5-12)10-2-3-10/h10H,1-4,6-9H2
InChIKeyUUYUYLNOMZMZDH-UHFFFAOYSA-N
XLogP1.62
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile (CID 63665035) is 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile is N#CCCN(CCOCCCl)C1CC1.
What is the InChIKey of 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile?
The InChIKey is UUYUYLNOMZMZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c11-4-8-14-9-7-13(6-1-5-12)10-2-3-10/h10H,1-4,6-9H2.
What are the key properties of 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile?
3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile has a molecular weight of 216.71 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroethoxy)ethyl-cyclopropylamino]propanenitrile is sourced from PubChem (CID 63665035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).