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

C16H32N2 — CID 64876284

IUPAC3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCN1CC2(CCCCC2)NCC1(C)C
InChIInChI=1S/C16H32N2/c1-14(2)8-11-18-13-16(9-6-5-7-10-16)17-12-15(18,3)4/h14,17H,5-13H2,1-4H3
InChIKeyUHIARLJLNVBRMM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

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

3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64876284) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64876284
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCN1CC2(CCCCC2)NCC1(C)C
InChIInChI=1S/C16H32N2/c1-14(2)8-11-18-13-16(9-6-5-7-10-16)17-12-15(18,3)4/h14,17H,5-13H2,1-4H3
InChIKeyUHIARLJLNVBRMM-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane (CID 64876284) is 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane is CC(C)CCN1CC2(CCCCC2)NCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is UHIARLJLNVBRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)8-11-18-13-16(9-6-5-7-10-16)17-12-15(18,3)4/h14,17H,5-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64876284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).