ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane

C19H39NO2 — CID 144959274

IUPACethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane
SMILESCC.CCCC(C)C.COC(=O)N1CC2(CCC(C)CC2)C1
InChIInChI=1S/C11H19NO2.C6H14.C2H6/c1-9-3-5-11(6-4-9)7-12(8-11)10(13)14-2;1-4-5-6(2)3;1-2/h9H,3-8H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyBUDDQRKLAWCIHT-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.73
Rot. Bonds2

About ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane

ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane (PubChem CID 144959274) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane.

Molecular Properties

Compound Nameethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane
PubChem CID144959274
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Nameethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane
SMILESCC.CCCC(C)C.COC(=O)N1CC2(CCC(C)CC2)C1
InChIInChI=1S/C11H19NO2.C6H14.C2H6/c1-9-3-5-11(6-4-9)7-12(8-11)10(13)14-2;1-4-5-6(2)3;1-2/h9H,3-8H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyBUDDQRKLAWCIHT-UHFFFAOYSA-N
XLogP5.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methoxyethenyl)-7-methyl-2-azaspiro[3.5]nonane
CID 144515716
methyl 3-ethyl-3-propan-2-ylazetidine-1-carboxylate
CID 174337493
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
4-methyl-1-pentan-2-ylcyclohexane-1-carboxylic acid
CID 107889004
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
methyl 2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 72863193
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
methyl 3,3,4,4-tetrafluoropyrrolidine-1-carboxylate
CID 126987071
ethane;methyl carbamate;2-methylpentane;molecular hydrogen
CID 143037525
N-methyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 169216222
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 71244313

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane?
The IUPAC name of ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane (CID 144959274) is ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane.
What is the SMILES notation for ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane?
The canonical SMILES for ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane is CC.CCCC(C)C.COC(=O)N1CC2(CCC(C)CC2)C1.
What is the InChIKey of ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane?
The InChIKey is BUDDQRKLAWCIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.C6H14.C2H6/c1-9-3-5-11(6-4-9)7-12(8-11)10(13)14-2;1-4-5-6(2)3;1-2/h9H,3-8H2,1-2H3;6H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane?
ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane has a molecular weight of 313.53 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 7-methyl-2-azaspiro[3.5]nonane-2-carboxylate;2-methylpentane is sourced from PubChem (CID 144959274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).