1,3-di(propan-2-yl)-1,3,5-triazinane

C9H21N3 — CID 155613866

IUPAC1,3-di(propan-2-yl)-1,3,5-triazinane
SMILESCC(C)N1CNCN(C(C)C)C1
InChIInChI=1S/C9H21N3/c1-8(2)11-5-10-6-12(7-11)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyRYIRXYGZBIYEKY-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.88
Rot. Bonds2

About 1,3-di(propan-2-yl)-1,3,5-triazinane

1,3-di(propan-2-yl)-1,3,5-triazinane (PubChem CID 155613866) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1,3,5-triazinane
PubChem CID155613866
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,3-di(propan-2-yl)-1,3,5-triazinane
SMILESCC(C)N1CNCN(C(C)C)C1
InChIInChI=1S/C9H21N3/c1-8(2)11-5-10-6-12(7-11)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyRYIRXYGZBIYEKY-UHFFFAOYSA-N
XLogP0.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1,3,5-triazinane?
The IUPAC name of 1,3-di(propan-2-yl)-1,3,5-triazinane (CID 155613866) is 1,3-di(propan-2-yl)-1,3,5-triazinane.
What is the SMILES notation for 1,3-di(propan-2-yl)-1,3,5-triazinane?
The canonical SMILES for 1,3-di(propan-2-yl)-1,3,5-triazinane is CC(C)N1CNCN(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)-1,3,5-triazinane?
The InChIKey is RYIRXYGZBIYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-8(2)11-5-10-6-12(7-11)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-1,3,5-triazinane?
1,3-di(propan-2-yl)-1,3,5-triazinane has a molecular weight of 171.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-1,3,5-triazinane is sourced from PubChem (CID 155613866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).