3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile

C11H21N3 — CID 62886111

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
SMILESCC(CC#N)N1CCCC1CN(C)C
InChIInChI=1S/C11H21N3/c1-10(6-7-12)14-8-4-5-11(14)9-13(2)3/h10-11H,4-6,8-9H2,1-3H3
InChIKeyYPGAOXAGDMPSDS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.31
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile (PubChem CID 62886111) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
PubChem CID62886111
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
SMILESCC(CC#N)N1CCCC1CN(C)C
InChIInChI=1S/C11H21N3/c1-10(6-7-12)14-8-4-5-11(14)9-13(2)3/h10-11H,4-6,8-9H2,1-3H3
InChIKeyYPGAOXAGDMPSDS-UHFFFAOYSA-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 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile (CID 62886111) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile is CC(CC#N)N1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile?
The InChIKey is YPGAOXAGDMPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(6-7-12)14-8-4-5-11(14)9-13(2)3/h10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile 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 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile is sourced from PubChem (CID 62886111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).