(3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene

C20H20N4 — CID 15862336

IUPAC(3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESCC1=C(C)/N=c2\cccc\c2=N/C(C)=C(C)\N=c2/cccc/c2=N\1
InChIInChI=1S/C20H20N4/c1-13-14(2)22-19-11-7-8-12-20(19)24-16(4)15(3)23-18-10-6-5-9-17(18)21-13/h5-12H,1-4H3/b14-13-,16-15-,21-13+,21-17+,22-14+,22-19+,23-15+,23-18+,24-16+,24-20+
InChIKeyQDWVCPIOFHVDDS-CQOIAHHKSA-N
MW316.41 g/mol
LogP2.38
Rot. Bonds

About (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene

(3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 15862336) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name(3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
PubChem CID15862336
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name(3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESCC1=C(C)/N=c2\cccc\c2=N/C(C)=C(C)\N=c2/cccc/c2=N\1
InChIInChI=1S/C20H20N4/c1-13-14(2)22-19-11-7-8-12-20(19)24-16(4)15(3)23-18-10-6-5-9-17(18)21-13/h5-12H,1-4H3/b14-13-,16-15-,21-13+,21-17+,22-14+,22-19+,23-15+,23-18+,24-16+,24-20+
InChIKeyQDWVCPIOFHVDDS-CQOIAHHKSA-N
XLogP2.38
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 15862336) is (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene is CC1=C(C)/N=c2\cccc\c2=N/C(C)=C(C)\N=c2/cccc/c2=N\1.
What is the InChIKey of (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is QDWVCPIOFHVDDS-CQOIAHHKSA-N. The full InChI is InChI=1S/C20H20N4/c1-13-14(2)22-19-11-7-8-12-20(19)24-16(4)15(3)23-18-10-6-5-9-17(18)21-13/h5-12H,1-4H3/b14-13-,16-15-,21-13+,21-17+,22-14+,22-19+,23-15+,23-18+,24-16+,24-20+.
What are the key properties of (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
(3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 316.41 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,13Z)-3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 15862336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).