(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile

C22H28N2O2 — CID 69464123

IUPAC(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile
SMILESCCOC(OCC)C1([C@H](C#N)NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H28N2O2/c1-3-25-21(26-4-2)22(13-14-22)20(16-23)24-15-12-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,20-21,24H,3-4,12-15H2,1-2H3/t20-/m0/s1
InChIKeyWAUWIYWRBURNHI-FQEVSTJZSA-N
MW352.48 g/mol
LogP4.04
Rot. Bonds10

About (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile (PubChem CID 69464123) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile.

Molecular Properties

Compound Name(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile
PubChem CID69464123
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile
SMILESCCOC(OCC)C1([C@H](C#N)NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H28N2O2/c1-3-25-21(26-4-2)22(13-14-22)20(16-23)24-15-12-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,20-21,24H,3-4,12-15H2,1-2H3/t20-/m0/s1
InChIKeyWAUWIYWRBURNHI-FQEVSTJZSA-N
XLogP4.04
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile?
The IUPAC name of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile (CID 69464123) is (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile.
What is the SMILES notation for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile?
The canonical SMILES for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile is CCOC(OCC)C1([C@H](C#N)NCCc2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile?
The InChIKey is WAUWIYWRBURNHI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-25-21(26-4-2)22(13-14-22)20(16-23)24-15-12-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,20-21,24H,3-4,12-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile?
(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile has a molecular weight of 352.48 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile is sourced from PubChem (CID 69464123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).