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

C18H29N5O3 — CID 44522559

IUPAC1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C18H29N5O3/c1-5-8-13-9-6-10-14(24-4)15(13)25-11-7-12-26-23-17(20)21-16(19)22-18(23,2)3/h6,9-10H,5,7-8,11-12H2,1-4H3,(H4,19,20,21,22)
InChIKeyCYOQDBWYHRFSKV-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.03
Rot. Bonds9

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

1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 44522559) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID44522559
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C18H29N5O3/c1-5-8-13-9-6-10-14(24-4)15(13)25-11-7-12-26-23-17(20)21-16(19)22-18(23,2)3/h6,9-10H,5,7-8,11-12H2,1-4H3,(H4,19,20,21,22)
InChIKeyCYOQDBWYHRFSKV-UHFFFAOYSA-N
XLogP2.03
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44523074
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522556
1-[3-(3-ethylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522509
1-[3-(2,3-dihydro-1H-inden-4-yloxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134120422
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008692
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117027
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 44522559) is 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C.
What is the InChIKey of 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CYOQDBWYHRFSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-5-8-13-9-6-10-14(24-4)15(13)25-11-7-12-26-23-17(20)21-16(19)22-18(23,2)3/h6,9-10H,5,7-8,11-12H2,1-4H3,(H4,19,20,21,22).
What are the key properties of 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 363.46 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44522559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).