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

C18H33NO2 — CID 65295628

IUPACN-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCCOC2CCCCC2)C12CCC2
InChIInChI=1S/C18H33NO2/c1-2-20-17-14-16(18(17)10-6-11-18)19-12-7-13-21-15-8-4-3-5-9-15/h15-17,19H,2-14H2,1H3
InChIKeyZCKSJXVUXHSFIZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.66
Rot. Bonds8

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

N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65295628) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65295628
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCCOC2CCCCC2)C12CCC2
InChIInChI=1S/C18H33NO2/c1-2-20-17-14-16(18(17)10-6-11-18)19-12-7-13-21-15-8-4-3-5-9-15/h15-17,19H,2-14H2,1H3
InChIKeyZCKSJXVUXHSFIZ-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 65295475
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 65295628) is N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(NCCCOC2CCCCC2)C12CCC2.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is ZCKSJXVUXHSFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-20-17-14-16(18(17)10-6-11-18)19-12-7-13-21-15-8-4-3-5-9-15/h15-17,19H,2-14H2,1H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).