2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

C14H26N2O2 — CID 97449150

IUPAC2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-18-13(17)16-9-5-14(6-10-16)3-7-15-8-4-14/h12,15H,3-11H2,1-2H3
InChIKeyOSIGQELHCHLFOF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds2

About 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 97449150) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID97449150
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-18-13(17)16-9-5-14(6-10-16)3-7-15-8-4-14/h12,15H,3-11H2,1-2H3
InChIKeyOSIGQELHCHLFOF-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
CID 142778163
3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 107323806
2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate
CID 66203506
2-methylpropyl 4-iodopiperazine-1-carboxylate
CID 155242434
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
N-methyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 155067147
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010579

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 97449150) is 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)COC(=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is OSIGQELHCHLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)11-18-13(17)16-9-5-14(6-10-16)3-7-15-8-4-14/h12,15H,3-11H2,1-2H3.
What are the key properties of 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 97449150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).