5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile

C13H25N3 — CID 63217429

IUPAC5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CCCN1CCCC1(C)C
InChIInChI=1S/C13H25N3/c1-12(2)7-5-9-16(12)10-6-8-13(3,11-14)15-4/h15H,5-10H2,1-4H3
InChIKeyCBUDHPOJEOIWIE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds5

About 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile

5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 63217429) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID63217429
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CCCN1CCCC1(C)C
InChIInChI=1S/C13H25N3/c1-12(2)7-5-9-16(12)10-6-8-13(3,11-14)15-4/h15H,5-10H2,1-4H3
InChIKeyCBUDHPOJEOIWIE-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile (CID 63217429) is 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile is CNC(C)(C#N)CCCN1CCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is CBUDHPOJEOIWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-12(2)7-5-9-16(12)10-6-8-13(3,11-14)15-4/h15H,5-10H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 63217429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).