4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium

C18H25N4OY- — CID 59879773

IUPAC4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
SMILESCCC(COc1cccc(C)c1)Nc1nc(C)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C18H25N4O.Y/c1-6-15(11-23-16-9-7-8-13(4)10-16)21-18-20-14(5)19-17(22-18)12(2)3;/h7-10,15H,6,11H2,1-5H3,(H,19,20,21,22);/q-1;
InChIKeyMEMJDFCPXSRUQH-UHFFFAOYSA-N
MW402.33 g/mol
LogP3.72
Rot. Bonds7

About 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium

4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium (PubChem CID 59879773) has the molecular formula C18H25N4OY- and a molecular weight of 402.33 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium.

Molecular Properties

Compound Name4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
PubChem CID59879773
Molecular FormulaC18H25N4OY-
Molecular Weight402.33 g/mol
Exact Mass402.11
IUPAC Name4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
SMILESCCC(COc1cccc(C)c1)Nc1nc(C)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C18H25N4O.Y/c1-6-15(11-23-16-9-7-8-13(4)10-16)21-18-20-14(5)19-17(22-18)12(2)3;/h7-10,15H,6,11H2,1-5H3,(H,19,20,21,22);/q-1;
InChIKeyMEMJDFCPXSRUQH-UHFFFAOYSA-N
XLogP3.72
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium with MolForge

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Related Compounds

N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-[3-chloro-2-[1-chloro-3-(3-methylphenoxy)propan-2-yl]sulfanylpropoxy]-3-methylbenzene
CID 3544662
6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 21348568
2-N-[1-(3,5-dimethylphenoxy)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 10915243
(1R)-2-(3-methylphenoxy)-1-pyridin-2-ylethanol
CID 129362885
3,4,5-trimethoxy-N-[(2S)-1-(3-methylphenoxy)butan-2-yl]benzamide
CID 96564662
6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 21348569
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751375

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The IUPAC name of 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium (CID 59879773) is 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium.
What is the SMILES notation for 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The canonical SMILES for 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium is CCC(COc1cccc(C)c1)Nc1nc(C)nc([C-](C)C)n1.[Y].
What is the InChIKey of 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The InChIKey is MEMJDFCPXSRUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N4O.Y/c1-6-15(11-23-16-9-7-8-13(4)10-16)21-18-20-14(5)19-17(22-18)12(2)3;/h7-10,15H,6,11H2,1-5H3,(H,19,20,21,22);/q-1;.
What are the key properties of 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium has a molecular weight of 402.33 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium is sourced from PubChem (CID 59879773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).