(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
CID 170065017
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 157048753
(1-propan-2-ylazetidin-3-yl)-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 170185292
8-azaspiro[4.5]decan-8-yl hydrogen carbonate
CID 68899591
3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid
CID 66323410
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
CID 62394199
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
CID 60787071
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662

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).