(6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene

C21H30N2 — CID 19879739

IUPAC(6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
SMILESCC(C)=CCC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NC/C=C\4
InChIInChI=1S/C21H30N2/c1-13(2)7-8-17-18-10-16-12-21(4)14(3)20(17)23-19(18)11-15(16)6-5-9-22-21/h5-7,11,14,17-18,20,22-23H,8-10,12H2,1-4H3/b6-5-
InChIKeyAVJWTMOVKRSQHJ-WAYWQWQTSA-N
MW310.49 g/mol
LogP4.09
Rot. Bonds2

About (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene

(6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene (PubChem CID 19879739) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene.

Molecular Properties

Compound Name(6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
PubChem CID19879739
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name(6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
SMILESCC(C)=CCC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NC/C=C\4
InChIInChI=1S/C21H30N2/c1-13(2)7-8-17-18-10-16-12-21(4)14(3)20(17)23-19(18)11-15(16)6-5-9-22-21/h5-7,11,14,17-18,20,22-23H,8-10,12H2,1-4H3/b6-5-
InChIKeyAVJWTMOVKRSQHJ-WAYWQWQTSA-N
XLogP4.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
The IUPAC name of (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene (CID 19879739) is (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene.
What is the SMILES notation for (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
The canonical SMILES for (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene is CC(C)=CCC1C2CC3=C4C=C2NC1C(C)C(C)(C3)NC/C=C\4.
What is the InChIKey of (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
The InChIKey is AVJWTMOVKRSQHJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C21H30N2/c1-13(2)7-8-17-18-10-16-12-21(4)14(3)20(17)23-19(18)11-15(16)6-5-9-22-21/h5-7,11,14,17-18,20,22-23H,8-10,12H2,1-4H3/b6-5-.
What are the key properties of (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene?
(6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene has a molecular weight of 310.49 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene is sourced from PubChem (CID 19879739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).