ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine

C12H25NO2 — CID 90819516

IUPACethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine
SMILESCC.CC1(N)CCC2(CC1)OCCCO2
InChIInChI=1S/C10H19NO2.C2H6/c1-9(11)3-5-10(6-4-9)12-7-2-8-13-10;1-2/h2-8,11H2,1H3;1-2H3
InChIKeyJHEPGCQPGMOAJT-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.44
Rot. Bonds

About ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine

ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine (PubChem CID 90819516) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Nameethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine
PubChem CID90819516
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine
SMILESCC.CC1(N)CCC2(CC1)OCCCO2
InChIInChI=1S/C10H19NO2.C2H6/c1-9(11)3-5-10(6-4-9)12-7-2-8-13-10;1-2/h2-8,11H2,1H3;1-2H3
InChIKeyJHEPGCQPGMOAJT-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The IUPAC name of ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine (CID 90819516) is ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine.
What is the SMILES notation for ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The canonical SMILES for ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine is CC.CC1(N)CCC2(CC1)OCCCO2.
What is the InChIKey of ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The InChIKey is JHEPGCQPGMOAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-9(11)3-5-10(6-4-9)12-7-2-8-13-10;1-2/h2-8,11H2,1H3;1-2H3.
What are the key properties of ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine?
ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine has a molecular weight of 215.34 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-1,5-dioxaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 90819516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).