2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C15H30N2O2 — CID 61477178

IUPAC2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H30N2O2/c1-12(2)14(11-17(3)4)16-13-5-7-15(8-6-13)18-9-10-19-15/h12-14,16H,5-11H2,1-4H3
InChIKeyISJOUKLRNWHTQU-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.85
Rot. Bonds5

About 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61477178) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61477178
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H30N2O2/c1-12(2)14(11-17(3)4)16-13-5-7-15(8-6-13)18-9-10-19-15/h12-14,16H,5-11H2,1-4H3
InChIKeyISJOUKLRNWHTQU-UHFFFAOYSA-N
XLogP1.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61477178) is 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)NC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is ISJOUKLRNWHTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)14(11-17(3)4)16-13-5-7-15(8-6-13)18-9-10-19-15/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61477178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).