ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)

C20H44N4 — CID 164903780

IUPACethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)
SMILESCC.CC.CN1CCC2(CCNC2)C1.CN1CCC2(CCNC2)C1
InChIInChI=1S/2C8H16N2.2C2H6/c2*1-10-5-3-8(7-10)2-4-9-6-8;2*1-2/h2*9H,2-7H2,1H3;2*1-2H3
InChIKeyYIWUIBJMYBVQJJ-UHFFFAOYSA-N
MW340.60 g/mol
LogP2.66
Rot. Bonds

About ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)

ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane) (PubChem CID 164903780) has the molecular formula C20H44N4 and a molecular weight of 340.60 g/mol. Its IUPAC name is ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane).

Molecular Properties

Compound Nameethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)
PubChem CID164903780
Molecular FormulaC20H44N4
Molecular Weight340.60 g/mol
Exact Mass340.36
IUPAC Nameethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)
SMILESCC.CC.CN1CCC2(CCNC2)C1.CN1CCC2(CCNC2)C1
InChIInChI=1S/2C8H16N2.2C2H6/c2*1-10-5-3-8(7-10)2-4-9-6-8;2*1-2/h2*9H,2-7H2,1H3;2*1-2H3
InChIKeyYIWUIBJMYBVQJJ-UHFFFAOYSA-N
XLogP2.66
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)?
The IUPAC name of ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane) (CID 164903780) is ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane).
What is the SMILES notation for ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)?
The canonical SMILES for ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane) is CC.CC.CN1CCC2(CCNC2)C1.CN1CCC2(CCNC2)C1.
What is the InChIKey of ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)?
The InChIKey is YIWUIBJMYBVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.2C2H6/c2*1-10-5-3-8(7-10)2-4-9-6-8;2*1-2/h2*9H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)?
ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane) has a molecular weight of 340.60 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane) is sourced from PubChem (CID 164903780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).