2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile

C10H18N2O — CID 63907134

IUPAC2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COC)C1CC1
InChIInChI=1S/C10H18N2O/c1-3-6-12-10(7-11,8-13-2)9-4-5-9/h9,12H,3-6,8H2,1-2H3
InChIKeyFICCACLPOMVYNG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds6

About 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile

2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile (PubChem CID 63907134) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
PubChem CID63907134
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COC)C1CC1
InChIInChI=1S/C10H18N2O/c1-3-6-12-10(7-11,8-13-2)9-4-5-9/h9,12H,3-6,8H2,1-2H3
InChIKeyFICCACLPOMVYNG-UHFFFAOYSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile (CID 63907134) is 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile is CCCNC(C#N)(COC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile?
The InChIKey is FICCACLPOMVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-6-12-10(7-11,8-13-2)9-4-5-9/h9,12H,3-6,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile?
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile is sourced from PubChem (CID 63907134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).