N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine

C19H33NO — CID 65167891

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCC2=CCCCC2)C12CCCCC2
InChIInChI=1S/C19H33NO/c1-2-21-18-15-17(19(18)12-7-4-8-13-19)20-14-11-16-9-5-3-6-10-16/h9,17-18,20H,2-8,10-15H2,1H3
InChIKeyBLQOQLGYZPGUDN-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.59
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65167891) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65167891
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCC2=CCCCC2)C12CCCCC2
InChIInChI=1S/C19H33NO/c1-2-21-18-15-17(19(18)12-7-4-8-13-19)20-14-11-16-9-5-3-6-10-16/h9,17-18,20H,2-8,10-15H2,1H3
InChIKeyBLQOQLGYZPGUDN-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N,N-dimethylpropanamide
CID 65167588
3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
CID 75516201
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65294827
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
3-ethoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 106396417
3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
CID 65169715
3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine
CID 115906306
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine (CID 65167891) is N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NCCC2=CCCCC2)C12CCCCC2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is BLQOQLGYZPGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-21-18-15-17(19(18)12-7-4-8-13-19)20-14-11-16-9-5-3-6-10-16/h9,17-18,20H,2-8,10-15H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65167891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).