(3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate

C11H20N2O3 — CID 68975111

IUPAC(3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate
SMILESCCCC1NCC12CCN(OC(=O)O)CC2
InChIInChI=1S/C11H20N2O3/c1-2-3-9-11(8-12-9)4-6-13(7-5-11)16-10(14)15/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyUWTYUPYACQJFDI-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.45
Rot. Bonds3

About (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate

(3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate (PubChem CID 68975111) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate
PubChem CID68975111
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate
SMILESCCCC1NCC12CCN(OC(=O)O)CC2
InChIInChI=1S/C11H20N2O3/c1-2-3-9-11(8-12-9)4-6-13(7-5-11)16-10(14)15/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyUWTYUPYACQJFDI-UHFFFAOYSA-N
XLogP1.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-azaspiro[4.5]decan-8-yl hydrogen carbonate
CID 68899591
(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate
CID 68898383
[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate
CID 90898347
2-propylcyclopentane-1,1-dicarboxylic acid
CID 14381279
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
(1-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl) hydrogen carbonate
CID 170429944
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
methyl 1-piperazin-1-yl-4-propylcyclohexane-1-carboxylate
CID 54895216
3-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 14482018
2-tert-butyl-4-ethyl-3-pyrrolidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 151365686

Frequently Asked Questions

What is the IUPAC name of (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate?
The IUPAC name of (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate (CID 68975111) is (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate.
What is the SMILES notation for (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate?
The canonical SMILES for (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate is CCCC1NCC12CCN(OC(=O)O)CC2.
What is the InChIKey of (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate?
The InChIKey is UWTYUPYACQJFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-9-11(8-12-9)4-6-13(7-5-11)16-10(14)15/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate?
(3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate has a molecular weight of 228.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-2,7-diazaspiro[3.5]nonan-7-yl) hydrogen carbonate is sourced from PubChem (CID 68975111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).