12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine

C20H22N2 — CID 101213672

IUPAC12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine
SMILESC=c1cccccc(N)ccccc(N)cccccc1=C
InChIInChI=1S/C20H22N2/c1-17-11-5-3-7-13-19(21)15-9-10-16-20(22)14-8-4-6-12-18(17)2/h3-16H,1-2,21-22H2/b7-3-,8-4+,11-5+,12-6+,15-9+,16-10+,19-13-,20-14+
InChIKeyDRBYWOWJBXYZMW-CIHXIOFTSA-N
MW290.41 g/mol
LogP3.04
Rot. Bonds

About 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine

12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine (PubChem CID 101213672) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine.

Molecular Properties

Compound Name12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine
PubChem CID101213672
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine
SMILESC=c1cccccc(N)ccccc(N)cccccc1=C
InChIInChI=1S/C20H22N2/c1-17-11-5-3-7-13-19(21)15-9-10-16-20(22)14-8-4-6-12-18(17)2/h3-16H,1-2,21-22H2/b7-3-,8-4+,11-5+,12-6+,15-9+,16-10+,19-13-,20-14+
InChIKeyDRBYWOWJBXYZMW-CIHXIOFTSA-N
XLogP3.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine?
The IUPAC name of 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine (CID 101213672) is 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine.
What is the SMILES notation for 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine?
The canonical SMILES for 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine is C=c1cccccc(N)ccccc(N)cccccc1=C.
What is the InChIKey of 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine?
The InChIKey is DRBYWOWJBXYZMW-CIHXIOFTSA-N. The full InChI is InChI=1S/C20H22N2/c1-17-11-5-3-7-13-19(21)15-9-10-16-20(22)14-8-4-6-12-18(17)2/h3-16H,1-2,21-22H2/b7-3-,8-4+,11-5+,12-6+,15-9+,16-10+,19-13-,20-14+.
What are the key properties of 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine?
12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine is sourced from PubChem (CID 101213672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).