2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine

C17H29N5 — CID 101080045

IUPAC2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine
SMILESCCCCC#Cc1nc(N(CC)CC)nc(N(CC)CC)n1
InChIInChI=1S/C17H29N5/c1-6-11-12-13-14-15-18-16(21(7-2)8-3)20-17(19-15)22(9-4)10-5/h6-12H2,1-5H3
InChIKeyUGNPCCDRGOFWNY-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.11
Rot. Bonds8

About 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine (PubChem CID 101080045) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine
PubChem CID101080045
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine
SMILESCCCCC#Cc1nc(N(CC)CC)nc(N(CC)CC)n1
InChIInChI=1S/C17H29N5/c1-6-11-12-13-14-15-18-16(21(7-2)8-3)20-17(19-15)22(9-4)10-5/h6-12H2,1-5H3
InChIKeyUGNPCCDRGOFWNY-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine (CID 101080045) is 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine is CCCCC#Cc1nc(N(CC)CC)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UGNPCCDRGOFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-6-11-12-13-14-15-18-16(21(7-2)8-3)20-17(19-15)22(9-4)10-5/h6-12H2,1-5H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine has a molecular weight of 303.45 g/mol, XLogP of 3.11, 8 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,4-N-tetraethyl-6-hex-1-ynyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 101080045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).