N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine

C22H37N9O — CID 21348355

IUPACN,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine
SMILESCON1C(C)(C)CC(N(CN(C)c2nc(C)nc(C)n2)c2nc(C)nc(C)n2)CC1(C)C
InChIInChI=1S/C22H37N9O/c1-14-23-15(2)26-19(25-14)29(9)13-30(20-27-16(3)24-17(4)28-20)18-11-21(5,6)31(32-10)22(7,8)12-18/h18H,11-13H2,1-10H3
InChIKeyUMWUGNXXFGOWEY-UHFFFAOYSA-N
MW443.60 g/mol
LogP2.77
Rot. Bonds6

About N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine

N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine (PubChem CID 21348355) has the molecular formula C22H37N9O and a molecular weight of 443.60 g/mol. Its IUPAC name is N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine.

Molecular Properties

Compound NameN,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine
PubChem CID21348355
Molecular FormulaC22H37N9O
Molecular Weight443.60 g/mol
Exact Mass443.31
IUPAC NameN,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine
SMILESCON1C(C)(C)CC(N(CN(C)c2nc(C)nc(C)n2)c2nc(C)nc(C)n2)CC1(C)C
InChIInChI=1S/C22H37N9O/c1-14-23-15(2)26-19(25-14)29(9)13-30(20-27-16(3)24-17(4)28-20)18-11-21(5,6)31(32-10)22(7,8)12-18/h18H,11-13H2,1-10H3
InChIKeyUMWUGNXXFGOWEY-UHFFFAOYSA-N
XLogP2.77
TPSA96.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine?
The IUPAC name of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine (CID 21348355) is N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine.
What is the SMILES notation for N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine?
The canonical SMILES for N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine is CON1C(C)(C)CC(N(CN(C)c2nc(C)nc(C)n2)c2nc(C)nc(C)n2)CC1(C)C.
What is the InChIKey of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine?
The InChIKey is UMWUGNXXFGOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N9O/c1-14-23-15(2)26-19(25-14)29(9)13-30(20-27-16(3)24-17(4)28-20)18-11-21(5,6)31(32-10)22(7,8)12-18/h18H,11-13H2,1-10H3.
What are the key properties of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine?
N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine has a molecular weight of 443.60 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanediamine is sourced from PubChem (CID 21348355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).