1,4-di(propan-2-yl)-1,3,5-triazinane

C9H21N3 — CID 58373984

IUPAC1,4-di(propan-2-yl)-1,3,5-triazinane
SMILESCC(C)C1NCN(C(C)C)CN1
InChIInChI=1S/C9H21N3/c1-7(2)9-10-5-12(6-11-9)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyPXFVOCGARIAYOC-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.79
Rot. Bonds2

About 1,4-di(propan-2-yl)-1,3,5-triazinane

1,4-di(propan-2-yl)-1,3,5-triazinane (PubChem CID 58373984) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-1,3,5-triazinane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-1,3,5-triazinane
PubChem CID58373984
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,4-di(propan-2-yl)-1,3,5-triazinane
SMILESCC(C)C1NCN(C(C)C)CN1
InChIInChI=1S/C9H21N3/c1-7(2)9-10-5-12(6-11-9)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyPXFVOCGARIAYOC-UHFFFAOYSA-N
XLogP0.79
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-1,3,5-triazinane
CID 21323958
1,3-di(propan-2-yl)-1,3,5-triazinane
CID 155613866
CID 160802886
CID 160802886
1,4-di(propan-2-yl)piperidine
CID 21303253
1-(4-propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368
3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389
3-iodo-1-propan-2-ylpiperazine
CID 140575626

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-1,3,5-triazinane?
The IUPAC name of 1,4-di(propan-2-yl)-1,3,5-triazinane (CID 58373984) is 1,4-di(propan-2-yl)-1,3,5-triazinane.
What is the SMILES notation for 1,4-di(propan-2-yl)-1,3,5-triazinane?
The canonical SMILES for 1,4-di(propan-2-yl)-1,3,5-triazinane is CC(C)C1NCN(C(C)C)CN1.
What is the InChIKey of 1,4-di(propan-2-yl)-1,3,5-triazinane?
The InChIKey is PXFVOCGARIAYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)9-10-5-12(6-11-9)8(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-1,3,5-triazinane?
1,4-di(propan-2-yl)-1,3,5-triazinane has a molecular weight of 171.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-1,3,5-triazinane is sourced from PubChem (CID 58373984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).