4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine

C17H34N6 — CID 59898335

IUPAC4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCN(CCCC)c1ncnc(N(CCC)CNC)n1
InChIInChI=1S/C17H34N6/c1-5-8-10-13-22(12-9-6-2)16-19-14-20-17(21-16)23(11-7-3)15-18-4/h14,18H,5-13,15H2,1-4H3
InChIKeyRZFFJFWSRPAZJF-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.06
Rot. Bonds13

About 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine

4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 59898335) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID59898335
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCN(CCCC)c1ncnc(N(CCC)CNC)n1
InChIInChI=1S/C17H34N6/c1-5-8-10-13-22(12-9-6-2)16-19-14-20-17(21-16)23(11-7-3)15-18-4/h14,18H,5-13,15H2,1-4H3
InChIKeyRZFFJFWSRPAZJF-UHFFFAOYSA-N
XLogP3.06
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 59898335) is 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCCCN(CCCC)c1ncnc(N(CCC)CNC)n1.
What is the InChIKey of 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RZFFJFWSRPAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6/c1-5-8-10-13-22(12-9-6-2)16-19-14-20-17(21-16)23(11-7-3)15-18-4/h14,18H,5-13,15H2,1-4H3.
What are the key properties of 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 322.50 g/mol, XLogP of 3.06, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59898335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).