ethane;4-methyl-2-azaspiro[5.5]undec-3-ene

C13H25N — CID 144676483

IUPACethane;4-methyl-2-azaspiro[5.5]undec-3-ene
SMILESCC.CC1=CNCC2(CCCCC2)C1
InChIInChI=1S/C11H19N.C2H6/c1-10-7-11(9-12-8-10)5-3-2-4-6-11;1-2/h8,12H,2-7,9H2,1H3;1-2H3
InChIKeyZLBZCHXNSMBIJQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.86
Rot. Bonds

About ethane;4-methyl-2-azaspiro[5.5]undec-3-ene

ethane;4-methyl-2-azaspiro[5.5]undec-3-ene (PubChem CID 144676483) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is ethane;4-methyl-2-azaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Nameethane;4-methyl-2-azaspiro[5.5]undec-3-ene
PubChem CID144676483
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nameethane;4-methyl-2-azaspiro[5.5]undec-3-ene
SMILESCC.CC1=CNCC2(CCCCC2)C1
InChIInChI=1S/C11H19N.C2H6/c1-10-7-11(9-12-8-10)5-3-2-4-6-11;1-2/h8,12H,2-7,9H2,1H3;1-2H3
InChIKeyZLBZCHXNSMBIJQ-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-azaspiro[5.5]undec-3-ene?
The IUPAC name of ethane;4-methyl-2-azaspiro[5.5]undec-3-ene (CID 144676483) is ethane;4-methyl-2-azaspiro[5.5]undec-3-ene.
What is the SMILES notation for ethane;4-methyl-2-azaspiro[5.5]undec-3-ene?
The canonical SMILES for ethane;4-methyl-2-azaspiro[5.5]undec-3-ene is CC.CC1=CNCC2(CCCCC2)C1.
What is the InChIKey of ethane;4-methyl-2-azaspiro[5.5]undec-3-ene?
The InChIKey is ZLBZCHXNSMBIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.C2H6/c1-10-7-11(9-12-8-10)5-3-2-4-6-11;1-2/h8,12H,2-7,9H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-azaspiro[5.5]undec-3-ene?
ethane;4-methyl-2-azaspiro[5.5]undec-3-ene has a molecular weight of 195.35 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-azaspiro[5.5]undec-3-ene is sourced from PubChem (CID 144676483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).