8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane

C18H34N2O — CID 64860926

IUPAC8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCOCCN1CC(C2CC2)NCC12CCCC2
InChIInChI=1S/C18H34N2O/c1-15(2)7-11-21-12-10-20-13-17(16-5-6-16)19-14-18(20)8-3-4-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyBQIMZZVBTQWMHV-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.05
Rot. Bonds7

About 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane

8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64860926) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64860926
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCOCCN1CC(C2CC2)NCC12CCCC2
InChIInChI=1S/C18H34N2O/c1-15(2)7-11-21-12-10-20-13-17(16-5-6-16)19-14-18(20)8-3-4-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyBQIMZZVBTQWMHV-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64860926) is 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane is CC(C)CCOCCN1CC(C2CC2)NCC12CCCC2.
What is the InChIKey of 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is BQIMZZVBTQWMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)7-11-21-12-10-20-13-17(16-5-6-16)19-14-18(20)8-3-4-9-18/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 294.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64860926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).