ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine

C15H34N2 — CID 143707887

IUPACethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine
SMILESC=C1/C=C\CNNC(C)CC1.CC.CC.CC
InChIInChI=1S/C9H16N2.3C2H6/c1-8-4-3-7-10-11-9(2)6-5-8;3*1-2/h3-4,9-11H,1,5-7H2,2H3;3*1-2H3/b4-3-;;;
InChIKeyOFKUKPBOHDHGMH-FGSKAQBVSA-N
MW242.45 g/mol
LogP4.45
Rot. Bonds

About ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine

ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine (PubChem CID 143707887) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine.

Molecular Properties

Compound Nameethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine
PubChem CID143707887
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Nameethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine
SMILESC=C1/C=C\CNNC(C)CC1.CC.CC.CC
InChIInChI=1S/C9H16N2.3C2H6/c1-8-4-3-7-10-11-9(2)6-5-8;3*1-2/h3-4,9-11H,1,5-7H2,2H3;3*1-2H3/b4-3-;;;
InChIKeyOFKUKPBOHDHGMH-FGSKAQBVSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine?
The IUPAC name of ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine (CID 143707887) is ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine.
What is the SMILES notation for ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine?
The canonical SMILES for ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine is C=C1/C=C\CNNC(C)CC1.CC.CC.CC.
What is the InChIKey of ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine?
The InChIKey is OFKUKPBOHDHGMH-FGSKAQBVSA-N. The full InChI is InChI=1S/C9H16N2.3C2H6/c1-8-4-3-7-10-11-9(2)6-5-8;3*1-2/h3-4,9-11H,1,5-7H2,2H3;3*1-2H3/b4-3-;;;.
What are the key properties of ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine?
ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine has a molecular weight of 242.45 g/mol, XLogP of 4.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7Z)-3-methyl-6-methylidene-1,2,3,4,5,9-hexahydrodiazonine is sourced from PubChem (CID 143707887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).