1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine

C12H24N6 — CID 139746596

IUPAC1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine
SMILESCN(C)C(CCc1ccnnn1)(N(C)C)N(C)C
InChIInChI=1S/C12H24N6/c1-16(2)12(17(3)4,18(5)6)9-7-11-8-10-13-15-14-11/h8,10H,7,9H2,1-6H3
InChIKeyJTWNRIDVGLBGPR-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.14
Rot. Bonds6

About 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine

1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine (PubChem CID 139746596) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine
PubChem CID139746596
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine
SMILESCN(C)C(CCc1ccnnn1)(N(C)C)N(C)C
InChIInChI=1S/C12H24N6/c1-16(2)12(17(3)4,18(5)6)9-7-11-8-10-13-15-14-11/h8,10H,7,9H2,1-6H3
InChIKeyJTWNRIDVGLBGPR-UHFFFAOYSA-N
XLogP0.14
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine (CID 139746596) is 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine is CN(C)C(CCc1ccnnn1)(N(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine?
The InChIKey is JTWNRIDVGLBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-16(2)12(17(3)4,18(5)6)9-7-11-8-10-13-15-14-11/h8,10H,7,9H2,1-6H3.
What are the key properties of 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine?
1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine has a molecular weight of 252.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(triazin-4-yl)propane-1,1,1-triamine is sourced from PubChem (CID 139746596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).