3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile

C10H19N3 — CID 81467144

IUPAC3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CC(C)N(C)C1
InChIInChI=1S/C10H19N3/c1-8(5-11)6-12-10-4-9(2)13(3)7-10/h8-10,12H,4,6-7H2,1-3H3
InChIKeyHXJDPPBQKOHJKK-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.83
Rot. Bonds3

About 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile

3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile (PubChem CID 81467144) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile
PubChem CID81467144
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CC(C)N(C)C1
InChIInChI=1S/C10H19N3/c1-8(5-11)6-12-10-4-9(2)13(3)7-10/h8-10,12H,4,6-7H2,1-3H3
InChIKeyHXJDPPBQKOHJKK-UHFFFAOYSA-N
XLogP0.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile (CID 81467144) is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile is CC(C#N)CNC1CC(C)N(C)C1.
What is the InChIKey of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile?
The InChIKey is HXJDPPBQKOHJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(5-11)6-12-10-4-9(2)13(3)7-10/h8-10,12H,4,6-7H2,1-3H3.
What are the key properties of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile?
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 81467144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).