1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C18H29N5 — CID 10358346

IUPAC1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C18H29N5/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)23-17(20)21-16(19)22-18(23,2)3/h10-13H,4-9H2,1-3H3,(H4,19,20,21,22)
InChIKeySHKQYLGCCJGWKG-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.38
Rot. Bonds7

About 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 10358346) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID10358346
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C18H29N5/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)23-17(20)21-16(19)22-18(23,2)3/h10-13H,4-9H2,1-3H3,(H4,19,20,21,22)
InChIKeySHKQYLGCCJGWKG-UHFFFAOYSA-N
XLogP3.38
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 10358346) is 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SHKQYLGCCJGWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)23-17(20)21-16(19)22-18(23,2)3/h10-13H,4-9H2,1-3H3,(H4,19,20,21,22).
What are the key properties of 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 315.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10358346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).