6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile

C13H24N6 — CID 547468

IUPAC6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile
SMILESCC1(C)CC(N2CN=C(N)N(C#N)C2)CC(C)(C)N1
InChIInChI=1S/C13H24N6/c1-12(2)5-10(6-13(3,4)17-12)19-8-16-11(15)18(7-14)9-19/h10,17H,5-6,8-9H2,1-4H3,(H2,15,16)
InChIKeyIBFSDNKARCJMQF-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.62
Rot. Bonds1

About 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile

6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile (PubChem CID 547468) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile
PubChem CID547468
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile
SMILESCC1(C)CC(N2CN=C(N)N(C#N)C2)CC(C)(C)N1
InChIInChI=1S/C13H24N6/c1-12(2)5-10(6-13(3,4)17-12)19-8-16-11(15)18(7-14)9-19/h10,17H,5-6,8-9H2,1-4H3,(H2,15,16)
InChIKeyIBFSDNKARCJMQF-UHFFFAOYSA-N
XLogP0.62
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethylamino)methyleneamino-2,2,6,6-tetramethyl piperidine
CID 58301
1-(2,2,6,6-Tetramethylpiperidin-4-yl)guanidine
CID 7176005
2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine
CID 18551436
2-Cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 19741920
2-Cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 19741925
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)guanidine
CID 20352106
2-Cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 53875648
1-Cyano-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 54122136
1,2-Dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)guanidine
CID 54202329
1-Cyano-2-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57205310
1-Cyano-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57221585
1-Cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57284883

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile?
The IUPAC name of 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile (CID 547468) is 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile.
What is the SMILES notation for 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile?
The canonical SMILES for 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile is CC1(C)CC(N2CN=C(N)N(C#N)C2)CC(C)(C)N1.
What is the InChIKey of 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile?
The InChIKey is IBFSDNKARCJMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-12(2)5-10(6-13(3,4)17-12)19-8-16-11(15)18(7-14)9-19/h10,17H,5-6,8-9H2,1-4H3,(H2,15,16).
What are the key properties of 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile?
6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile has a molecular weight of 264.38 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydro-1,3,5-triazine-1-carbonitrile is sourced from PubChem (CID 547468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).