1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile

C12H21N3 — CID 62975494

IUPAC1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile
SMILESCCN(CC)C1(C#N)CCN(C2CC2)C1
InChIInChI=1S/C12H21N3/c1-3-15(4-2)12(9-13)7-8-14(10-12)11-5-6-11/h11H,3-8,10H2,1-2H3
InChIKeyDYPHTMQRFBEKSG-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.46
Rot. Bonds4

About 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile

1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile (PubChem CID 62975494) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile
PubChem CID62975494
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile
SMILESCCN(CC)C1(C#N)CCN(C2CC2)C1
InChIInChI=1S/C12H21N3/c1-3-15(4-2)12(9-13)7-8-14(10-12)11-5-6-11/h11H,3-8,10H2,1-2H3
InChIKeyDYPHTMQRFBEKSG-UHFFFAOYSA-N
XLogP1.46
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile (CID 62975494) is 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile is CCN(CC)C1(C#N)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile?
The InChIKey is DYPHTMQRFBEKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15(4-2)12(9-13)7-8-14(10-12)11-5-6-11/h11H,3-8,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile?
1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(diethylamino)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 62975494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).