2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine

C14H26N6O — CID 80775477

IUPAC2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-5-20(6-2)14-17-12(15-3)16-13(18-14)19(4)11-7-9-21-10-8-11/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyAGYMMIMODPOBLL-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.37
Rot. Bonds6

About 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80775477) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80775477
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-5-20(6-2)14-17-12(15-3)16-13(18-14)19(4)11-7-9-21-10-8-11/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyAGYMMIMODPOBLL-UHFFFAOYSA-N
XLogP1.37
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 80775477) is 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NC)nc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AGYMMIMODPOBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-20(6-2)14-17-12(15-3)16-13(18-14)19(4)11-7-9-21-10-8-11/h11H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 294.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80775477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).