3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine

C16H31NO2 — CID 103271742

IUPAC3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOCC(NC1CC(OCC)C12CCC2)C(C)C
InChIInChI=1S/C16H31NO2/c1-5-18-11-13(12(3)4)17-14-10-15(19-6-2)16(14)8-7-9-16/h12-15,17H,5-11H2,1-4H3
InChIKeyGEOAKVZVFMNHBP-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.98
Rot. Bonds8

About 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine (PubChem CID 103271742) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
PubChem CID103271742
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOCC(NC1CC(OCC)C12CCC2)C(C)C
InChIInChI=1S/C16H31NO2/c1-5-18-11-13(12(3)4)17-14-10-15(19-6-2)16(14)8-7-9-16/h12-15,17H,5-11H2,1-4H3
InChIKeyGEOAKVZVFMNHBP-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-methylspiro[3.3]heptan-1-amine hydrochloride
CID 71756381
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.3]heptan-1-amine
CID 65294628
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 103082700
3-[(3-Ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 113352073
3-[(3-Ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol
CID 113352184
3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine
CID 115906513
N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 153484493
6-methyl-N-(2-propan-2-yloxyethyl)spiro[3.3]heptan-2-amine;molecular hydrogen
CID 163374369
N-(2-cyclohexyloxyethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850372
2,2-dimethyl-3-(2-methylpropoxy)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 64850399
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850405
3-ethoxy-N-(1-ethoxypropan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 64850563

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine (CID 103271742) is 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine is CCOCC(NC1CC(OCC)C12CCC2)C(C)C.
What is the InChIKey of 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine?
The InChIKey is GEOAKVZVFMNHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-18-11-13(12(3)4)17-14-10-15(19-6-2)16(14)8-7-9-16/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 103271742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).