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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Related Compounds

8-methyl-9-(3-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 114174386
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64877989
4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64941030
8-methyl-9-(2-methylpentyl)-6,9-diazaspiro[4.5]decane
CID 64875816
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106329736
2-(2-methylpentan-2-yl)-2,5-diazaspiro[3.4]octane
CID 155370707
3-methyl-4-(2,2,3,3-tetramethylcyclopropyl)-1,4-diazaspiro[5.5]undecane
CID 79350283
4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 81113962
9-(2-cyclopentylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934593
4-(3-ethylsulfanylpropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 113474569

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).