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

C11H20N2O3 — CID 68898383

IUPAC(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate
SMILESCCCN1CCC2(CC1)CN(OC(=O)O)C2
InChIInChI=1S/C11H20N2O3/c1-2-5-12-6-3-11(4-7-12)8-13(9-11)16-10(14)15/h2-9H2,1H3,(H,14,15)
InChIKeyKFLBHEBBCBVGGI-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.40
Rot. Bonds3

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

(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate (PubChem CID 68898383) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate
PubChem CID68898383
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate
SMILESCCCN1CCC2(CC1)CN(OC(=O)O)C2
InChIInChI=1S/C11H20N2O3/c1-2-5-12-6-3-11(4-7-12)8-13(9-11)16-10(14)15/h2-9H2,1H3,(H,14,15)
InChIKeyKFLBHEBBCBVGGI-UHFFFAOYSA-N
XLogP1.40
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate?
The IUPAC name of (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate (CID 68898383) is (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate.
What is the SMILES notation for (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate?
The canonical SMILES for (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate is CCCN1CCC2(CC1)CN(OC(=O)O)C2.
What is the InChIKey of (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate?
The InChIKey is KFLBHEBBCBVGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-5-12-6-3-11(4-7-12)8-13(9-11)16-10(14)15/h2-9H2,1H3,(H,14,15).
What are the key properties of (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate?
(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate has a molecular weight of 228.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate is sourced from PubChem (CID 68898383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).