3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine

C15H27NO — CID 115906306

IUPAC3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine
SMILESC/C=C/CCNC1CC(OCC)C12CCCC2
InChIInChI=1S/C15H27NO/c1-3-5-8-11-16-13-12-14(17-4-2)15(13)9-6-7-10-15/h3,5,13-14,16H,4,6-12H2,1-2H3/b5-3+
InChIKeyCNFRXRUSNQYNMG-HWKANZROSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds6

About 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine (PubChem CID 115906306) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine
PubChem CID115906306
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine
SMILESC/C=C/CCNC1CC(OCC)C12CCCC2
InChIInChI=1S/C15H27NO/c1-3-5-8-11-16-13-12-14(17-4-2)15(13)9-6-7-10-15/h3,5,13-14,16H,4,6-12H2,1-2H3/b5-3+
InChIKeyCNFRXRUSNQYNMG-HWKANZROSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 103922077
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
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
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
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine (CID 115906306) is 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine is C/C=C/CCNC1CC(OCC)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine?
The InChIKey is CNFRXRUSNQYNMG-HWKANZROSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-8-11-16-13-12-14(17-4-2)15(13)9-6-7-10-15/h3,5,13-14,16H,4,6-12H2,1-2H3/b5-3+.
What are the key properties of 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 115906306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).