2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane

C18H28N2 — CID 123221762

IUPAC2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane
SMILESCC(C)CN1CC(c2ccccc2)C2(CCCNC2)C1
InChIInChI=1S/C18H28N2/c1-15(2)11-20-12-17(16-7-4-3-5-8-16)18(14-20)9-6-10-19-13-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
InChIKeyPWITVNAOCZIWHG-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane

2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane (PubChem CID 123221762) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane
PubChem CID123221762
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane
SMILESCC(C)CN1CC(c2ccccc2)C2(CCCNC2)C1
InChIInChI=1S/C18H28N2/c1-15(2)11-20-12-17(16-7-4-3-5-8-16)18(14-20)9-6-10-19-13-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
InChIKeyPWITVNAOCZIWHG-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane (CID 123221762) is 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane is CC(C)CN1CC(c2ccccc2)C2(CCCNC2)C1.
What is the InChIKey of 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane?
The InChIKey is PWITVNAOCZIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(2)11-20-12-17(16-7-4-3-5-8-16)18(14-20)9-6-10-19-13-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane?
2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-phenyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 123221762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).