1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine

C12H30N6 — CID 57113550

IUPAC1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine
SMILESCN(C)C(CCC1NCNCN1)(N(C)C)N(C)C
InChIInChI=1S/C12H30N6/c1-16(2)12(17(3)4,18(5)6)8-7-11-14-9-13-10-15-11/h11,13-15H,7-10H2,1-6H3
InChIKeyOIXCKEMRRZIHGZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP-0.87
Rot. Bonds6

About 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine

1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine (PubChem CID 57113550) has the molecular formula C12H30N6 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine
PubChem CID57113550
Molecular FormulaC12H30N6
Molecular Weight258.41 g/mol
Exact Mass258.25
IUPAC Name1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine
SMILESCN(C)C(CCC1NCNCN1)(N(C)C)N(C)C
InChIInChI=1S/C12H30N6/c1-16(2)12(17(3)4,18(5)6)8-7-11-14-9-13-10-15-11/h11,13-15H,7-10H2,1-6H3
InChIKeyOIXCKEMRRZIHGZ-UHFFFAOYSA-N
XLogP-0.87
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
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-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine (CID 57113550) is 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-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-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine is CN(C)C(CCC1NCNCN1)(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-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine?
The InChIKey is OIXCKEMRRZIHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N6/c1-16(2)12(17(3)4,18(5)6)8-7-11-14-9-13-10-15-11/h11,13-15H,7-10H2,1-6H3.
What are the key properties of 1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine?
1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-3-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine has a molecular weight of 258.41 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 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-(1,3,5-triazinan-2-yl)propane-1,1,1-triamine is sourced from PubChem (CID 57113550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).