2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile

C11H21N3 — CID 164657695

IUPAC2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile
SMILESCNC(C#N)C(C)N1CCCC(C)C1
InChIInChI=1S/C11H21N3/c1-9-5-4-6-14(8-9)10(2)11(7-12)13-3/h9-11,13H,4-6,8H2,1-3H3
InChIKeyCWEJPFYFENLTIX-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.22
Rot. Bonds3

About 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile

2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile (PubChem CID 164657695) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile
PubChem CID164657695
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile
SMILESCNC(C#N)C(C)N1CCCC(C)C1
InChIInChI=1S/C11H21N3/c1-9-5-4-6-14(8-9)10(2)11(7-12)13-3/h9-11,13H,4-6,8H2,1-3H3
InChIKeyCWEJPFYFENLTIX-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile (CID 164657695) is 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile is CNC(C#N)C(C)N1CCCC(C)C1.
What is the InChIKey of 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile?
The InChIKey is CWEJPFYFENLTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-5-4-6-14(8-9)10(2)11(7-12)13-3/h9-11,13H,4-6,8H2,1-3H3.
What are the key properties of 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile?
2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 164657695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).