methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate

C15H27NO3 — CID 114818425

IUPACmethyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate
SMILESCOCCNC1(C(=O)OC)CCC2(CCCC2)CC1
InChIInChI=1S/C15H27NO3/c1-18-12-11-16-15(13(17)19-2)9-7-14(8-10-15)5-3-4-6-14/h16H,3-12H2,1-2H3
InChIKeyBOGBHNWVKICGRH-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds5

About methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate

methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate (PubChem CID 114818425) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate
PubChem CID114818425
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate
SMILESCOCCNC1(C(=O)OC)CCC2(CCCC2)CC1
InChIInChI=1S/C15H27NO3/c1-18-12-11-16-15(13(17)19-2)9-7-14(8-10-15)5-3-4-6-14/h16H,3-12H2,1-2H3
InChIKeyBOGBHNWVKICGRH-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate
CID 80700254
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
CID 62977535
ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65086215
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
CID 136574717
methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
CID 114818417
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
ethyl 8-(prop-2-ynylamino)spiro[4.5]decane-8-carboxylate
CID 114818422
methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297
3-(2-methoxyethylamino)thiolane-3-carboxylic acid
CID 61341762
methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 62367369

Frequently Asked Questions

What is the IUPAC name of methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate (CID 114818425) is methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate is COCCNC1(C(=O)OC)CCC2(CCCC2)CC1.
What is the InChIKey of methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate?
The InChIKey is BOGBHNWVKICGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-18-12-11-16-15(13(17)19-2)9-7-14(8-10-15)5-3-4-6-14/h16H,3-12H2,1-2H3.
What are the key properties of methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate?
methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 114818425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).