(6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene

C25H29N — CID 146252708

IUPAC(6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene
SMILESC=C1C2=C3CCC=C2/C=C/C2(C)C=CCNC4=C(C)C(=C1C2C4)C3(C)C
InChIInChI=1S/C25H29N/c1-15-20-14-19-22-16(2)21-17(10-12-25(19,5)11-7-13-26-20)8-6-9-18(21)24(3,4)23(15)22/h7-8,10-12,19,26H,2,6,9,13-14H2,1,3-5H3/b11-7?,12-10+
InChIKeyQKDBNKVZAKRNLK-CVKYGVBHSA-N
MW343.51 g/mol
LogP5.93
Rot. Bonds

About (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene

(6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene (PubChem CID 146252708) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene.

Molecular Properties

Compound Name(6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene
PubChem CID146252708
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name(6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene
SMILESC=C1C2=C3CCC=C2/C=C/C2(C)C=CCNC4=C(C)C(=C1C2C4)C3(C)C
InChIInChI=1S/C25H29N/c1-15-20-14-19-22-16(2)21-17(10-12-25(19,5)11-7-13-26-20)8-6-9-18(21)24(3,4)23(15)22/h7-8,10-12,19,26H,2,6,9,13-14H2,1,3-5H3/b11-7?,12-10+
InChIKeyQKDBNKVZAKRNLK-CVKYGVBHSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene?
The IUPAC name of (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene (CID 146252708) is (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene.
What is the SMILES notation for (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene?
The canonical SMILES for (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene is C=C1C2=C3CCC=C2/C=C/C2(C)C=CCNC4=C(C)C(=C1C2C4)C3(C)C.
What is the InChIKey of (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene?
The InChIKey is QKDBNKVZAKRNLK-CVKYGVBHSA-N. The full InChI is InChI=1S/C25H29N/c1-15-20-14-19-22-16(2)21-17(10-12-25(19,5)11-7-13-26-20)8-6-9-18(21)24(3,4)23(15)22/h7-8,10-12,19,26H,2,6,9,13-14H2,1,3-5H3/b11-7?,12-10+.
What are the key properties of (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene?
(6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene has a molecular weight of 343.51 g/mol, XLogP of 5.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8,19,19,21-tetramethyl-17-methylidene-12-azapentacyclo[11.5.3.05,18.08,15.016,20]henicosa-1(18),4,6,9,13(21),16(20)-hexaene is sourced from PubChem (CID 146252708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).