5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile

C16H31N3 — CID 62124864

IUPAC5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CCCN1CCCC(C)C1C
InChIInChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)9-7-12-19-11-6-8-14(2)15(19)3/h14-15,18H,5-12H2,1-4H3
InChIKeyJSMQBKRMEJGVKN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds7

About 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile

5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 62124864) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
PubChem CID62124864
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CCCN1CCCC(C)C1C
InChIInChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)9-7-12-19-11-6-8-14(2)15(19)3/h14-15,18H,5-12H2,1-4H3
InChIKeyJSMQBKRMEJGVKN-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile (CID 62124864) is 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CCCN1CCCC(C)C1C.
What is the InChIKey of 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is JSMQBKRMEJGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)9-7-12-19-11-6-8-14(2)15(19)3/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile?
5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 62124864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).