4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile

C13H25N3 — CID 65251498

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCN(C)CC1CCCN1CCC(C)(C)C#N
InChIInChI=1S/C13H25N3/c1-13(2,11-14)7-9-16-8-5-6-12(16)10-15(3)4/h12H,5-10H2,1-4H3
InChIKeyZCROJDWPAHRGHK-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.95
Rot. Bonds5

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 65251498) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID65251498
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCN(C)CC1CCCN1CCC(C)(C)C#N
InChIInChI=1S/C13H25N3/c1-13(2,11-14)7-9-16-8-5-6-12(16)10-15(3)4/h12H,5-10H2,1-4H3
InChIKeyZCROJDWPAHRGHK-UHFFFAOYSA-N
XLogP1.95
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile (CID 65251498) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile is CN(C)CC1CCCN1CCC(C)(C)C#N.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is ZCROJDWPAHRGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,11-14)7-9-16-8-5-6-12(16)10-15(3)4/h12H,5-10H2,1-4H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 223.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).