4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane

C11H23N3 — CID 139359285

IUPAC4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane
SMILESCC(C)N1CCNC2(CCNCC2)C1
InChIInChI=1S/C11H23N3/c1-10(2)14-8-7-13-11(9-14)3-5-12-6-4-11/h10,12-13H,3-9H2,1-2H3
InChIKeyCULUEHXJXLGMQK-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.42
Rot. Bonds1

About 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane

4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane (PubChem CID 139359285) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane
PubChem CID139359285
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane
SMILESCC(C)N1CCNC2(CCNCC2)C1
InChIInChI=1S/C11H23N3/c1-10(2)14-8-7-13-11(9-14)3-5-12-6-4-11/h10,12-13H,3-9H2,1-2H3
InChIKeyCULUEHXJXLGMQK-UHFFFAOYSA-N
XLogP0.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane (CID 139359285) is 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane is CC(C)N1CCNC2(CCNCC2)C1.
What is the InChIKey of 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is CULUEHXJXLGMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(2)14-8-7-13-11(9-14)3-5-12-6-4-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane?
4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 197.33 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 139359285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).