N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine

C16H29NO — CID 115725116

IUPACN-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)C2CCC2)C12CCCC2
InChIInChI=1S/C16H29NO/c1-3-18-15-11-14(16(15)9-4-5-10-16)17-12(2)13-7-6-8-13/h12-15,17H,3-11H2,1-2H3
InChIKeyOMEMQHCZZFHFTQ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds5

About N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 115725116) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID115725116
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)C2CCC2)C12CCCC2
InChIInChI=1S/C16H29NO/c1-3-18-15-11-14(16(15)9-4-5-10-16)17-12(2)13-7-6-8-13/h12-15,17H,3-11H2,1-2H3
InChIKeyOMEMQHCZZFHFTQ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734
N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294431
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
CID 65047702
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 115725116) is N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NC(C)C2CCC2)C12CCCC2.
What is the InChIKey of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is OMEMQHCZZFHFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-18-15-11-14(16(15)9-4-5-10-16)17-12(2)13-7-6-8-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 115725116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).