(2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile

C11H21N3 — CID 167291965

IUPAC(2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile
SMILESCC(C)N(C)CCN1CCC[C@@H]1C#N
InChIInChI=1S/C11H21N3/c1-10(2)13(3)7-8-14-6-4-5-11(14)9-12/h10-11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyADHQCDGLWURYNK-LLVKDONJSA-N
MW195.31 g/mol
LogP1.31
Rot. Bonds4

About (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile

(2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile (PubChem CID 167291965) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile
PubChem CID167291965
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile
SMILESCC(C)N(C)CCN1CCC[C@@H]1C#N
InChIInChI=1S/C11H21N3/c1-10(2)13(3)7-8-14-6-4-5-11(14)9-12/h10-11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyADHQCDGLWURYNK-LLVKDONJSA-N
XLogP1.31
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile (CID 167291965) is (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile is CC(C)N(C)CCN1CCC[C@@H]1C#N.
What is the InChIKey of (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile?
The InChIKey is ADHQCDGLWURYNK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)13(3)7-8-14-6-4-5-11(14)9-12/h10-11H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile?
(2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 167291965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).