3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile

C14H24N2O — CID 63908827

IUPAC3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COC1CCCCCC1)C1CC1
InChIInChI=1S/C14H24N2O/c1-16-14(10-15,12-8-9-12)11-17-13-6-4-2-3-5-7-13/h12-13,16H,2-9,11H2,1H3
InChIKeyWKLXZZAQPJVSKH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds5

About 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile

3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 63908827) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID63908827
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COC1CCCCCC1)C1CC1
InChIInChI=1S/C14H24N2O/c1-16-14(10-15,12-8-9-12)11-17-13-6-4-2-3-5-7-13/h12-13,16H,2-9,11H2,1H3
InChIKeyWKLXZZAQPJVSKH-UHFFFAOYSA-N
XLogP2.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile (CID 63908827) is 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile is CNC(C#N)(COC1CCCCCC1)C1CC1.
What is the InChIKey of 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is WKLXZZAQPJVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-16-14(10-15,12-8-9-12)11-17-13-6-4-2-3-5-7-13/h12-13,16H,2-9,11H2,1H3.
What are the key properties of 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 236.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63908827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).