1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane

C16H33NO — CID 170771566

IUPAC1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane
SMILESC=C(N)C1CC12COCC(C)C(C)C2.CC.CC
InChIInChI=1S/C12H21NO.2C2H6/c1-8-4-12(5-11(12)10(3)13)7-14-6-9(8)2;2*1-2/h8-9,11H,3-7,13H2,1-2H3;2*1-2H3
InChIKeyZVDOLMMNFXMMNN-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.21
Rot. Bonds1

About 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane

1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane (PubChem CID 170771566) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane.

Molecular Properties

Compound Name1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane
PubChem CID170771566
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane
SMILESC=C(N)C1CC12COCC(C)C(C)C2.CC.CC
InChIInChI=1S/C12H21NO.2C2H6/c1-8-4-12(5-11(12)10(3)13)7-14-6-9(8)2;2*1-2/h8-9,11H,3-7,13H2,1-2H3;2*1-2H3
InChIKeyZVDOLMMNFXMMNN-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane?
The IUPAC name of 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane (CID 170771566) is 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane.
What is the SMILES notation for 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane?
The canonical SMILES for 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane is C=C(N)C1CC12COCC(C)C(C)C2.CC.CC.
What is the InChIKey of 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane?
The InChIKey is ZVDOLMMNFXMMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.2C2H6/c1-8-4-12(5-11(12)10(3)13)7-14-6-9(8)2;2*1-2/h8-9,11H,3-7,13H2,1-2H3;2*1-2H3.
What are the key properties of 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane?
1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane has a molecular weight of 255.45 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane is sourced from PubChem (CID 170771566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).