8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane

C21H34N2O — CID 112752388

IUPAC8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CCOCc1ccccc1
InChIInChI=1S/C21H34N2O/c1-18(2)14-20-15-22-21(10-6-7-11-21)17-23(20)12-13-24-16-19-8-4-3-5-9-19/h3-5,8-9,18,20,22H,6-7,10-17H2,1-2H3
InChIKeyJFIYXQMQRWYZHL-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.84
Rot. Bonds7

About 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane

8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 112752388) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane
PubChem CID112752388
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CCOCc1ccccc1
InChIInChI=1S/C21H34N2O/c1-18(2)14-20-15-22-21(10-6-7-11-21)17-23(20)12-13-24-16-19-8-4-3-5-9-19/h3-5,8-9,18,20,22H,6-7,10-17H2,1-2H3
InChIKeyJFIYXQMQRWYZHL-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.84
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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Related Compounds

3-tert-butyl-4-(2-phenylmethoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 112752390
3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64876420
8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
CID 80696882
3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 64878204
3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
CID 64878013
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
CID 11436891
9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 103141460
5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine
CID 64847819

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane (CID 112752388) is 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane is CC(C)CC1CNC2(CCCC2)CN1CCOCc1ccccc1.
What is the InChIKey of 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is JFIYXQMQRWYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-18(2)14-20-15-22-21(10-6-7-11-21)17-23(20)12-13-24-16-19-8-4-3-5-9-19/h3-5,8-9,18,20,22H,6-7,10-17H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane?
8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 330.52 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 112752388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).