1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile

C9H17N3 — CID 62977512

IUPAC1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
SMILESCCCNC1(C#N)CCN(C)C1
InChIInChI=1S/C9H17N3/c1-3-5-11-9(7-10)4-6-12(2)8-9/h11H,3-6,8H2,1-2H3
InChIKeyNAALIIHBZWVTMU-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.58
Rot. Bonds3

About 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile

1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile (PubChem CID 62977512) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
PubChem CID62977512
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
SMILESCCCNC1(C#N)CCN(C)C1
InChIInChI=1S/C9H17N3/c1-3-5-11-9(7-10)4-6-12(2)8-9/h11H,3-6,8H2,1-2H3
InChIKeyNAALIIHBZWVTMU-UHFFFAOYSA-N
XLogP0.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile (CID 62977512) is 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile is CCCNC1(C#N)CCN(C)C1.
What is the InChIKey of 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile?
The InChIKey is NAALIIHBZWVTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-11-9(7-10)4-6-12(2)8-9/h11H,3-6,8H2,1-2H3.
What are the key properties of 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile?
1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 62977512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).