formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane

C14H29NO3 — CID 169177422

IUPACformic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane
SMILESCC(C)N1CCC2(CC2)C1.CCCOC.O=CO
InChIInChI=1S/C9H17N.C4H10O.CH2O2/c1-8(2)10-6-5-9(7-10)3-4-9;1-3-4-5-2;2-1-3/h8H,3-7H2,1-2H3;3-4H2,1-2H3;1H,(H,2,3)
InChIKeyNWACIARBJORQDE-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.62
Rot. Bonds3

About formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane

formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane (PubChem CID 169177422) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Nameformic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane
PubChem CID169177422
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameformic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane
SMILESCC(C)N1CCC2(CC2)C1.CCCOC.O=CO
InChIInChI=1S/C9H17N.C4H10O.CH2O2/c1-8(2)10-6-5-9(7-10)3-4-9;1-3-4-5-2;2-1-3/h8H,3-7H2,1-2H3;3-4H2,1-2H3;1H,(H,2,3)
InChIKeyNWACIARBJORQDE-UHFFFAOYSA-N
XLogP2.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156546425
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131691593
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane?
The IUPAC name of formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane (CID 169177422) is formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane.
What is the SMILES notation for formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane?
The canonical SMILES for formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane is CC(C)N1CCC2(CC2)C1.CCCOC.O=CO.
What is the InChIKey of formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane?
The InChIKey is NWACIARBJORQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C4H10O.CH2O2/c1-8(2)10-6-5-9(7-10)3-4-9;1-3-4-5-2;2-1-3/h8H,3-7H2,1-2H3;3-4H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane?
formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane has a molecular weight of 259.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 169177422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).