1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane

C17H26N2 — CID 64862518

IUPAC1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane
SMILESCN1CC(C)(c2ccccc2)NCC12CCCCC2
InChIInChI=1S/C17H26N2/c1-16(15-9-5-3-6-10-15)14-19(2)17(13-18-16)11-7-4-8-12-17/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3
InChIKeyMGYMHOWNHFIIOI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.14
Rot. Bonds1

About 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane

1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64862518) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane
PubChem CID64862518
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane
SMILESCN1CC(C)(c2ccccc2)NCC12CCCCC2
InChIInChI=1S/C17H26N2/c1-16(15-9-5-3-6-10-15)14-19(2)17(13-18-16)11-7-4-8-12-17/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3
InChIKeyMGYMHOWNHFIIOI-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane (CID 64862518) is 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane is CN1CC(C)(c2ccccc2)NCC12CCCCC2.
What is the InChIKey of 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is MGYMHOWNHFIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-16(15-9-5-3-6-10-15)14-19(2)17(13-18-16)11-7-4-8-12-17/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64862518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).