(7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene

C20H30N2 — CID 146359435

IUPAC(7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene
SMILESCCC1/C=C\C=C/CCNC(C2=CC=CCC=C2)C(C)N1C
InChIInChI=1S/C20H30N2/c1-4-19-15-11-7-8-12-16-21-20(17(2)22(19)3)18-13-9-5-6-10-14-18/h5,7-11,13-15,17,19-21H,4,6,12,16H2,1-3H3/b8-7-,15-11-
InChIKeyMWSZDKKPCNWNOR-FGTQOCLDSA-N
MW298.47 g/mol
LogP4.00
Rot. Bonds2

About (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene

(7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene (PubChem CID 146359435) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene.

Molecular Properties

Compound Name(7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene
PubChem CID146359435
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene
SMILESCCC1/C=C\C=C/CCNC(C2=CC=CCC=C2)C(C)N1C
InChIInChI=1S/C20H30N2/c1-4-19-15-11-7-8-12-16-21-20(17(2)22(19)3)18-13-9-5-6-10-14-18/h5,7-11,13-15,17,19-21H,4,6,12,16H2,1-3H3/b8-7-,15-11-
InChIKeyMWSZDKKPCNWNOR-FGTQOCLDSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene?
The IUPAC name of (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene (CID 146359435) is (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene.
What is the SMILES notation for (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene?
The canonical SMILES for (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene is CCC1/C=C\C=C/CCNC(C2=CC=CCC=C2)C(C)N1C.
What is the InChIKey of (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene?
The InChIKey is MWSZDKKPCNWNOR-FGTQOCLDSA-N. The full InChI is InChI=1S/C20H30N2/c1-4-19-15-11-7-8-12-16-21-20(17(2)22(19)3)18-13-9-5-6-10-14-18/h5,7-11,13-15,17,19-21H,4,6,12,16H2,1-3H3/b8-7-,15-11-.
What are the key properties of (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene?
(7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene has a molecular weight of 298.47 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene is sourced from PubChem (CID 146359435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).