1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C22H37N5O2 — CID 3008692

IUPAC1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCOc1ccc(CON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C22H37N5O2/c1-4-5-6-7-8-9-10-11-16-28-19-14-12-18(13-15-19)17-29-27-21(24)25-20(23)26-22(27,2)3/h12-15H,4-11,16-17H2,1-3H3,(H4,23,24,25,26)
InChIKeyCCEOUUUBJBUHTP-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.32
Rot. Bonds13

About 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 3008692) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID3008692
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC Name1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCOc1ccc(CON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C22H37N5O2/c1-4-5-6-7-8-9-10-11-16-28-19-14-12-18(13-15-19)17-29-27-21(24)25-20(23)26-22(27,2)3/h12-15H,4-11,16-17H2,1-3H3,(H4,23,24,25,26)
InChIKeyCCEOUUUBJBUHTP-UHFFFAOYSA-N
XLogP4.32
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117027
1-heptoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008677
1-[3-(4-chlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10871077
6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 134098766
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine
CID 44522017
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(4-decoxyphenyl)methanamine
CID 55187501
1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117011
(4-nonoxyphenyl)methyl carbamate
CID 154021041
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 3008692) is 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCOc1ccc(CON2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CCEOUUUBJBUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-4-5-6-7-8-9-10-11-16-28-19-14-12-18(13-15-19)17-29-27-21(24)25-20(23)26-22(27,2)3/h12-15H,4-11,16-17H2,1-3H3,(H4,23,24,25,26).
What are the key properties of 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 403.57 g/mol, XLogP of 4.32, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3008692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).