1,2,3,4,4,5-hexamethyltriazinane

C9H21N3 — CID 20530993

IUPAC1,2,3,4,4,5-hexamethyltriazinane
SMILESCC1CN(C)N(C)N(C)C1(C)C
InChIInChI=1S/C9H21N3/c1-8-7-10(4)12(6)11(5)9(8,2)3/h8H,7H2,1-6H3
InChIKeyJCJMNULMANQLOL-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.04
Rot. Bonds

About 1,2,3,4,4,5-hexamethyltriazinane

1,2,3,4,4,5-hexamethyltriazinane (PubChem CID 20530993) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,2,3,4,4,5-hexamethyltriazinane.

Molecular Properties

Compound Name1,2,3,4,4,5-hexamethyltriazinane
PubChem CID20530993
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,2,3,4,4,5-hexamethyltriazinane
SMILESCC1CN(C)N(C)N(C)C1(C)C
InChIInChI=1S/C9H21N3/c1-8-7-10(4)12(6)11(5)9(8,2)3/h8H,7H2,1-6H3
InChIKeyJCJMNULMANQLOL-UHFFFAOYSA-N
XLogP1.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,2,3,4-tetramethylpyrazolidine
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1,2,2,3,6,6-hexamethylpiperidine
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CID 25022262
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2,4,5,5-tetramethylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,5-hexamethyltriazinane?
The IUPAC name of 1,2,3,4,4,5-hexamethyltriazinane (CID 20530993) is 1,2,3,4,4,5-hexamethyltriazinane.
What is the SMILES notation for 1,2,3,4,4,5-hexamethyltriazinane?
The canonical SMILES for 1,2,3,4,4,5-hexamethyltriazinane is CC1CN(C)N(C)N(C)C1(C)C.
What is the InChIKey of 1,2,3,4,4,5-hexamethyltriazinane?
The InChIKey is JCJMNULMANQLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-8-7-10(4)12(6)11(5)9(8,2)3/h8H,7H2,1-6H3.
What are the key properties of 1,2,3,4,4,5-hexamethyltriazinane?
1,2,3,4,4,5-hexamethyltriazinane has a molecular weight of 171.29 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4,5-hexamethyltriazinane is sourced from PubChem (CID 20530993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).