4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile

C13H23N3 — CID 65248352

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H23N3/c1-13(2,10-14)6-7-15-11-5-8-16(9-11)12-3-4-12/h11-12,15H,3-9H2,1-2H3
InChIKeyNDCQLOIXOUJURH-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds5

About 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile

4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile (PubChem CID 65248352) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile
PubChem CID65248352
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H23N3/c1-13(2,10-14)6-7-15-11-5-8-16(9-11)12-3-4-12/h11-12,15H,3-9H2,1-2H3
InChIKeyNDCQLOIXOUJURH-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile (CID 65248352) is 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCNC1CCN(C2CC2)C1.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is NDCQLOIXOUJURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,10-14)6-7-15-11-5-8-16(9-11)12-3-4-12/h11-12,15H,3-9H2,1-2H3.
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile?
4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65248352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).