2-methyl-3-(piperidin-1-ylamino)propanenitrile

C9H17N3 — CID 83013959

IUPAC2-methyl-3-(piperidin-1-ylamino)propanenitrile
SMILESCC(C#N)CNN1CCCCC1
InChIInChI=1S/C9H17N3/c1-9(7-10)8-11-12-5-3-2-4-6-12/h9,11H,2-6,8H2,1H3
InChIKeyCAYVVQYCRDIMRM-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.14
Rot. Bonds3

About 2-methyl-3-(piperidin-1-ylamino)propanenitrile

2-methyl-3-(piperidin-1-ylamino)propanenitrile (PubChem CID 83013959) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-1-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(piperidin-1-ylamino)propanenitrile
PubChem CID83013959
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methyl-3-(piperidin-1-ylamino)propanenitrile
SMILESCC(C#N)CNN1CCCCC1
InChIInChI=1S/C9H17N3/c1-9(7-10)8-11-12-5-3-2-4-6-12/h9,11H,2-6,8H2,1H3
InChIKeyCAYVVQYCRDIMRM-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-1-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(piperidin-1-ylamino)propanenitrile (CID 83013959) is 2-methyl-3-(piperidin-1-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(piperidin-1-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(piperidin-1-ylamino)propanenitrile is CC(C#N)CNN1CCCCC1.
What is the InChIKey of 2-methyl-3-(piperidin-1-ylamino)propanenitrile?
The InChIKey is CAYVVQYCRDIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(7-10)8-11-12-5-3-2-4-6-12/h9,11H,2-6,8H2,1H3.
What are the key properties of 2-methyl-3-(piperidin-1-ylamino)propanenitrile?
2-methyl-3-(piperidin-1-ylamino)propanenitrile has a molecular weight of 167.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-1-ylamino)propanenitrile is sourced from PubChem (CID 83013959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).