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

C17H31NO — CID 65294431

IUPACN-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)C2CCCCC2)C12CCC2
InChIInChI=1S/C17H31NO/c1-3-19-16-12-15(17(16)10-7-11-17)18-13(2)14-8-5-4-6-9-14/h13-16,18H,3-12H2,1-2H3
InChIKeyIHHFJHVBDMBSEU-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds5

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

N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65294431) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65294431
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)C2CCCCC2)C12CCC2
InChIInChI=1S/C17H31NO/c1-3-19-16-12-15(17(16)10-7-11-17)18-13(2)14-8-5-4-6-9-14/h13-16,18H,3-12H2,1-2H3
InChIKeyIHHFJHVBDMBSEU-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
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-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
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-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 65294431) is N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(NC(C)C2CCCCC2)C12CCC2.
What is the InChIKey of N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is IHHFJHVBDMBSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-19-16-12-15(17(16)10-7-11-17)18-13(2)14-8-5-4-6-9-14/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).