4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile

C16H31N3 — CID 86796204

IUPAC4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile
SMILESCC(C)(CCC#N)CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H31N3/c1-14(2,8-7-9-17)12-18-13-10-15(3,4)19-16(5,6)11-13/h13,18-19H,7-8,10-12H2,1-6H3
InChIKeyZZGKDCVDIWBIDH-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.22
Rot. Bonds5

About 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile

4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile (PubChem CID 86796204) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile
PubChem CID86796204
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile
SMILESCC(C)(CCC#N)CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H31N3/c1-14(2,8-7-9-17)12-18-13-10-15(3,4)19-16(5,6)11-13/h13,18-19H,7-8,10-12H2,1-6H3
InChIKeyZZGKDCVDIWBIDH-UHFFFAOYSA-N
XLogP3.22
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile (CID 86796204) is 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile is CC(C)(CCC#N)CNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile?
The InChIKey is ZZGKDCVDIWBIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2,8-7-9-17)12-18-13-10-15(3,4)19-16(5,6)11-13/h13,18-19H,7-8,10-12H2,1-6H3.
What are the key properties of 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile?
4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile is sourced from PubChem (CID 86796204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).