ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine

C9H19NO — CID 156879805

IUPACethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine
SMILESCC.CNC1CC2(COC2)C1
InChIInChI=1S/C7H13NO.C2H6/c1-8-6-2-7(3-6)4-9-5-7;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyUFQXQCYJEFQFDA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds1

About ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine

ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine (PubChem CID 156879805) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Nameethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine
PubChem CID156879805
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine
SMILESCC.CNC1CC2(COC2)C1
InChIInChI=1S/C7H13NO.C2H6/c1-8-6-2-7(3-6)4-9-5-7;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyUFQXQCYJEFQFDA-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-methyl-2-oxaspiro[3.3]heptane
CID 144747206
6-methoxy-2-oxaspiro[3.3]heptane
CID 90127740
2-oxaspiro[3.3]heptan-6-amine
CID 71303896
2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide
CID 177333349
methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775
N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317183
6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
CID 90249167
N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine;molecular hydrogen
CID 178010817
7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane
CID 155707389
tert-butyl N-[2-(2-oxaspiro[3.3]heptan-6-ylamino)ethyl]carbamate
CID 170628776
spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]
CID 134691809
1-methyl-3-(methylamino)cyclobutan-1-ol
CID 123473933

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine?
The IUPAC name of ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine (CID 156879805) is ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine.
What is the SMILES notation for ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine?
The canonical SMILES for ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine is CC.CNC1CC2(COC2)C1.
What is the InChIKey of ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine?
The InChIKey is UFQXQCYJEFQFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-8-6-2-7(3-6)4-9-5-7;1-2/h6,8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine?
ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 156879805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).