1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile

C10H19N3 — CID 62976756

IUPAC1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile
SMILESCC(C)CNC1(C#N)CCN(C)C1
InChIInChI=1S/C10H19N3/c1-9(2)6-12-10(7-11)4-5-13(3)8-10/h9,12H,4-6,8H2,1-3H3
InChIKeyWRSYWVREHBZUAR-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.83
Rot. Bonds3

About 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile

1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile (PubChem CID 62976756) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile
PubChem CID62976756
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile
SMILESCC(C)CNC1(C#N)CCN(C)C1
InChIInChI=1S/C10H19N3/c1-9(2)6-12-10(7-11)4-5-13(3)8-10/h9,12H,4-6,8H2,1-3H3
InChIKeyWRSYWVREHBZUAR-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 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile (CID 62976756) is 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile is CC(C)CNC1(C#N)CCN(C)C1.
What is the InChIKey of 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile?
The InChIKey is WRSYWVREHBZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)6-12-10(7-11)4-5-13(3)8-10/h9,12H,4-6,8H2,1-3H3.
What are the key properties of 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile?
1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile 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 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 62976756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).