N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine

C17H29NO — CID 64865405

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C12CCCC2
InChIInChI=1S/C17H29NO/c1-2-19-16-12-15(17(16)10-6-7-11-17)18-13-14-8-4-3-5-9-14/h3-4,14-16,18H,2,5-13H2,1H3
InChIKeyARKKJUVAKUYIGV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.67
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64865405) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64865405
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C12CCCC2
InChIInChI=1S/C17H29NO/c1-2-19-16-12-15(17(16)10-6-7-11-17)18-13-14-8-4-3-5-9-14/h3-4,14-16,18H,2,5-13H2,1H3
InChIKeyARKKJUVAKUYIGV-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 64865405) is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NCC2CC=CCC2)C12CCCC2.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is ARKKJUVAKUYIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-19-16-12-15(17(16)10-6-7-11-17)18-13-14-8-4-3-5-9-14/h3-4,14-16,18H,2,5-13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64865405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).