3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile

C11H21N3 — CID 130562534

IUPAC3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)CN1CC(C)C(C)(CN)C1
InChIInChI=1S/C11H21N3/c1-9(4-12)5-14-6-10(2)11(3,7-13)8-14/h9-10H,5-8,13H2,1-3H3
InChIKeyDUPHROJRTBVJDO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.06
Rot. Bonds3

About 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile

3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile (PubChem CID 130562534) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile
PubChem CID130562534
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)CN1CC(C)C(C)(CN)C1
InChIInChI=1S/C11H21N3/c1-9(4-12)5-14-6-10(2)11(3,7-13)8-14/h9-10H,5-8,13H2,1-3H3
InChIKeyDUPHROJRTBVJDO-UHFFFAOYSA-N
XLogP1.06
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile (CID 130562534) is 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile is CC(C#N)CN1CC(C)C(C)(CN)C1.
What is the InChIKey of 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is DUPHROJRTBVJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(4-12)5-14-6-10(2)11(3,7-13)8-14/h9-10H,5-8,13H2,1-3H3.
What are the key properties of 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile?
3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 130562534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).