3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane

C16H32N2 — CID 113472035

IUPAC3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC(C)(C)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C16H32N2/c1-5-9-15(3,4)18-13-16(17-12-14(18)2)10-7-6-8-11-16/h14,17H,5-13H2,1-4H3
InChIKeyIQEOAGRDKRQZEI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds3

About 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane

3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 113472035) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID113472035
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC(C)(C)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C16H32N2/c1-5-9-15(3,4)18-13-16(17-12-14(18)2)10-7-6-8-11-16/h14,17H,5-13H2,1-4H3
InChIKeyIQEOAGRDKRQZEI-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane (CID 113472035) is 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane is CCCC(C)(C)N1CC2(CCCCC2)NCC1C.
What is the InChIKey of 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is IQEOAGRDKRQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-9-15(3,4)18-13-16(17-12-14(18)2)10-7-6-8-11-16/h14,17H,5-13H2,1-4H3.
What are the key properties of 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane?
3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 252.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 113472035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).