2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C22H43N5 — CID 134315282

IUPAC2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCC)c1nc(N(CCCC)CCCC)nc(C(C)(C)C)n1
InChIInChI=1S/C22H43N5/c1-8-12-16-26(15-11-4)20-23-19(22(5,6)7)24-21(25-20)27(17-13-9-2)18-14-10-3/h8-18H2,1-7H3
InChIKeyQPKMKLNPBZLXBN-UHFFFAOYSA-N
MW377.62 g/mol
LogP5.59
Rot. Bonds13

About 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 134315282) has the molecular formula C22H43N5 and a molecular weight of 377.62 g/mol. Its IUPAC name is 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID134315282
Molecular FormulaC22H43N5
Molecular Weight377.62 g/mol
Exact Mass377.35
IUPAC Name2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCC)c1nc(N(CCCC)CCCC)nc(C(C)(C)C)n1
InChIInChI=1S/C22H43N5/c1-8-12-16-26(15-11-4)20-23-19(22(5,6)7)24-21(25-20)27(17-13-9-2)18-14-10-3/h8-18H2,1-7H3
InChIKeyQPKMKLNPBZLXBN-UHFFFAOYSA-N
XLogP5.59
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.62
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 134315282) is 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCCN(CCC)c1nc(N(CCCC)CCCC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QPKMKLNPBZLXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5/c1-8-12-16-26(15-11-4)20-23-19(22(5,6)7)24-21(25-20)27(17-13-9-2)18-14-10-3/h8-18H2,1-7H3.
What are the key properties of 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 377.62 g/mol, XLogP of 5.59, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).