ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate

C14H25NO2 — CID 114486788

IUPACethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)C1CNCC12CCC(C)C(C)C2
InChIInChI=1S/C14H25NO2/c1-4-17-13(16)12-8-15-9-14(12)6-5-10(2)11(3)7-14/h10-12,15H,4-9H2,1-3H3
InChIKeyQNSWPZCCKPWPKQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds2

About ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate

ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate (PubChem CID 114486788) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
PubChem CID114486788
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)C1CNCC12CCC(C)C(C)C2
InChIInChI=1S/C14H25NO2/c1-4-17-13(16)12-8-15-9-14(12)6-5-10(2)11(3)7-14/h10-12,15H,4-9H2,1-3H3
InChIKeyQNSWPZCCKPWPKQ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-tert-butyl 9-O-ethyl 2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 71305548
2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 97111372
ethyl 2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756026
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
CID 97357628
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756372
ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
CID 166452993
methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate (CID 114486788) is ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate is CCOC(=O)C1CNCC12CCC(C)C(C)C2.
What is the InChIKey of ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is QNSWPZCCKPWPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-17-13(16)12-8-15-9-14(12)6-5-10(2)11(3)7-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate?
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 114486788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).