N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine

C15H27NO — CID 115723734

IUPACN-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)C2CCC2)C12CCC2
InChIInChI=1S/C15H27NO/c1-3-17-14-10-13(15(14)8-5-9-15)16-11(2)12-6-4-7-12/h11-14,16H,3-10H2,1-2H3
InChIKeySEJVCRWSCCMMFO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds5

About N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine

N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 115723734) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID115723734
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)C2CCC2)C12CCC2
InChIInChI=1S/C15H27NO/c1-3-17-14-10-13(15(14)8-5-9-15)16-11(2)12-6-4-7-12/h11-14,16H,3-10H2,1-2H3
InChIKeySEJVCRWSCCMMFO-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294431
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
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
3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
CID 103271742
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
CID 104980931
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 115723734) is N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(NC(C)C2CCC2)C12CCC2.
What is the InChIKey of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is SEJVCRWSCCMMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-17-14-10-13(15(14)8-5-9-15)16-11(2)12-6-4-7-12/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.11, 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[3.3]heptan-1-amine is sourced from PubChem (CID 115723734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).