2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine

C28H55N7 — CID 176531616

IUPAC2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine
SMILESC=C1CC(N(C)C2=NC(N(CCCC)CCCC)=NC(N(CCCC)CCCC)N2)CC(C)(C)N1
InChIInChI=1S/C28H55N7/c1-9-13-17-34(18-14-10-2)26-29-25(33(8)24-21-23(5)32-28(6,7)22-24)30-27(31-26)35(19-15-11-3)20-16-12-4/h24,26,32H,5,9-22H2,1-4,6-8H3,(H,29,30,31)
InChIKeyBIIMHLGMJJDPSR-UHFFFAOYSA-N
MW489.80 g/mol
LogP5.37
Rot. Bonds14

About 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine (PubChem CID 176531616) has the molecular formula C28H55N7 and a molecular weight of 489.80 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine
PubChem CID176531616
Molecular FormulaC28H55N7
Molecular Weight489.80 g/mol
Exact Mass489.45
IUPAC Name2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine
SMILESC=C1CC(N(C)C2=NC(N(CCCC)CCCC)=NC(N(CCCC)CCCC)N2)CC(C)(C)N1
InChIInChI=1S/C28H55N7/c1-9-13-17-34(18-14-10-2)26-29-25(33(8)24-21-23(5)32-28(6,7)22-24)30-27(31-26)35(19-15-11-3)20-16-12-4/h24,26,32H,5,9-22H2,1-4,6-8H3,(H,29,30,31)
InChIKeyBIIMHLGMJJDPSR-UHFFFAOYSA-N
XLogP5.37
TPSA58.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.80
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine (CID 176531616) is 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine is C=C1CC(N(C)C2=NC(N(CCCC)CCCC)=NC(N(CCCC)CCCC)N2)CC(C)(C)N1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BIIMHLGMJJDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N7/c1-9-13-17-34(18-14-10-2)26-29-25(33(8)24-21-23(5)32-28(6,7)22-24)30-27(31-26)35(19-15-11-3)20-16-12-4/h24,26,32H,5,9-22H2,1-4,6-8H3,(H,29,30,31).
What are the key properties of 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine has a molecular weight of 489.80 g/mol, XLogP of 5.37, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 176531616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).