1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane

C17H30N2 — CID 144594246

IUPAC1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane
SMILESCC.CC.Cc1nnc(C)c2c1CCC21CCCC1
InChIInChI=1S/C13H18N2.2C2H6/c1-9-11-5-8-13(6-3-4-7-13)12(11)10(2)15-14-9;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyOGPWJKJIUYRLJD-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.90
Rot. Bonds

About 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane

1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane (PubChem CID 144594246) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane.

Molecular Properties

Compound Name1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane
PubChem CID144594246
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane
SMILESCC.CC.Cc1nnc(C)c2c1CCC21CCCC1
InChIInChI=1S/C13H18N2.2C2H6/c1-9-11-5-8-13(6-3-4-7-13)12(11)10(2)15-14-9;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyOGPWJKJIUYRLJD-UHFFFAOYSA-N
XLogP4.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane?
The IUPAC name of 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane (CID 144594246) is 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane.
What is the SMILES notation for 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane?
The canonical SMILES for 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane is CC.CC.Cc1nnc(C)c2c1CCC21CCCC1.
What is the InChIKey of 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane?
The InChIKey is OGPWJKJIUYRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.2C2H6/c1-9-11-5-8-13(6-3-4-7-13)12(11)10(2)15-14-9;2*1-2/h3-8H2,1-2H3;2*1-2H3.
What are the key properties of 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane?
1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane has a molecular weight of 262.44 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane is sourced from PubChem (CID 144594246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).