3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane

C17H34N2 — CID 83168130

IUPAC3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C17H34N2/c1-15(2)9-8-12-19-14-16(3,4)18-13-17(19)10-6-5-7-11-17/h15,18H,5-14H2,1-4H3
InChIKeyOIETZUVHKORVSR-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds4

About 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane

3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 83168130) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
PubChem CID83168130
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C17H34N2/c1-15(2)9-8-12-19-14-16(3,4)18-13-17(19)10-6-5-7-11-17/h15,18H,5-14H2,1-4H3
InChIKeyOIETZUVHKORVSR-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane (CID 83168130) is 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane is CC(C)CCCN1CC(C)(C)NCC12CCCCC2.
What is the InChIKey of 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is OIETZUVHKORVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)9-8-12-19-14-16(3,4)18-13-17(19)10-6-5-7-11-17/h15,18H,5-14H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 266.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 83168130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).