9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane

C16H30N2O — CID 74229840

IUPAC9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane
SMILESC/C=C(\C)CN1CCC2(CCCN(CCOC)C2)C1
InChIInChI=1S/C16H30N2O/c1-4-15(2)12-18-9-7-16(14-18)6-5-8-17(13-16)10-11-19-3/h4H,5-14H2,1-3H3/b15-4+
InChIKeyJTVZWVKKRCPVQE-SYZQJQIISA-N
MW266.43 g/mol
LogP2.39
Rot. Bonds5

About 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane

9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane (PubChem CID 74229840) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane
PubChem CID74229840
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane
SMILESC/C=C(\C)CN1CCC2(CCCN(CCOC)C2)C1
InChIInChI=1S/C16H30N2O/c1-4-15(2)12-18-9-7-16(14-18)6-5-8-17(13-16)10-11-19-3/h4H,5-14H2,1-3H3/b15-4+
InChIKeyJTVZWVKKRCPVQE-SYZQJQIISA-N
XLogP2.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane (CID 74229840) is 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane is C/C=C(\C)CN1CCC2(CCCN(CCOC)C2)C1.
What is the InChIKey of 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is JTVZWVKKRCPVQE-SYZQJQIISA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-15(2)12-18-9-7-16(14-18)6-5-8-17(13-16)10-11-19-3/h4H,5-14H2,1-3H3/b15-4+.
What are the key properties of 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane?
9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 266.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 74229840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).