2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile

C16H31N3 — CID 106713395

IUPAC2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
SMILESCNCCC1CCN(CCCCC(C)(C)C#N)CC1
InChIInChI=1S/C16H31N3/c1-16(2,14-17)9-4-5-11-19-12-7-15(8-13-19)6-10-18-3/h15,18H,4-13H2,1-3H3
InChIKeyYWTZGPYBLMZEDX-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.03
Rot. Bonds8

About 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile

2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile (PubChem CID 106713395) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
PubChem CID106713395
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
SMILESCNCCC1CCN(CCCCC(C)(C)C#N)CC1
InChIInChI=1S/C16H31N3/c1-16(2,14-17)9-4-5-11-19-12-7-15(8-13-19)6-10-18-3/h15,18H,4-13H2,1-3H3
InChIKeyYWTZGPYBLMZEDX-UHFFFAOYSA-N
XLogP3.03
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
CID 106714578
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 114526027
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexanenitrile
CID 106709889
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65250779
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
2,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)hexanenitrile
CID 106709915

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile (CID 106713395) is 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile is CNCCC1CCN(CCCCC(C)(C)C#N)CC1.
What is the InChIKey of 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile?
The InChIKey is YWTZGPYBLMZEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2,14-17)9-4-5-11-19-12-7-15(8-13-19)6-10-18-3/h15,18H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile?
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile is sourced from PubChem (CID 106713395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).