2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile

C11H21N3 — CID 63250043

IUPAC2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile
SMILESCNCC1CCCCN1CC(C)C#N
InChIInChI=1S/C11H21N3/c1-10(7-12)9-14-6-4-3-5-11(14)8-13-2/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyDKLXKJUPCIFFOH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.22
Rot. Bonds4

About 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile

2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile (PubChem CID 63250043) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile
PubChem CID63250043
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile
SMILESCNCC1CCCCN1CC(C)C#N
InChIInChI=1S/C11H21N3/c1-10(7-12)9-14-6-4-3-5-11(14)8-13-2/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyDKLXKJUPCIFFOH-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-[1-(3-methoxy-2-methylpropyl)piperidin-2-yl]-N-methylmethanamine
CID 116502150
1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine
CID 81093519
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
1-[1-(ethoxymethyl)piperidin-2-yl]-N-methylmethanamine
CID 65366865
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
1-[1-[2-(4-fluorophenyl)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842739
1-[1-(cyclopropylmethoxymethyl)piperidin-2-yl]-N-methylmethanamine
CID 106931143
3-(azetidin-1-yl)-2-methylpropanenitrile
CID 130161753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile (CID 63250043) is 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile is CNCC1CCCCN1CC(C)C#N.
What is the InChIKey of 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile?
The InChIKey is DKLXKJUPCIFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(7-12)9-14-6-4-3-5-11(14)8-13-2/h10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile?
2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 63250043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).