(5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene

C19H26N2 — CID 19879754

IUPAC(5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
SMILESC=CCN1C2=C3CC1C(C)C1(C)CNC/C=C\C3=C1CC2
InChIInChI=1S/C19H26N2/c1-4-10-21-17-8-7-16-14-6-5-9-20-12-19(16,3)13(2)18(21)11-15(14)17/h4-6,13,18,20H,1,7-12H2,2-3H3/b6-5-
InChIKeyZIBMETJOKNKJBK-WAYWQWQTSA-N
MW282.43 g/mol
LogP3.41
Rot. Bonds2

About (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene

(5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene (PubChem CID 19879754) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene.

Molecular Properties

Compound Name(5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
PubChem CID19879754
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
SMILESC=CCN1C2=C3CC1C(C)C1(C)CNC/C=C\C3=C1CC2
InChIInChI=1S/C19H26N2/c1-4-10-21-17-8-7-16-14-6-5-9-20-12-19(16,3)13(2)18(21)11-15(14)17/h4-6,13,18,20H,1,7-12H2,2-3H3/b6-5-
InChIKeyZIBMETJOKNKJBK-WAYWQWQTSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
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 (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The IUPAC name of (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene (CID 19879754) is (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene.
What is the SMILES notation for (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The canonical SMILES for (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene is C=CCN1C2=C3CC1C(C)C1(C)CNC/C=C\C3=C1CC2.
What is the InChIKey of (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The InChIKey is ZIBMETJOKNKJBK-WAYWQWQTSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-10-21-17-8-7-16-14-6-5-9-20-12-19(16,3)13(2)18(21)11-15(14)17/h4-6,13,18,20H,1,7-12H2,2-3H3/b6-5-.
What are the key properties of (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
(5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene has a molecular weight of 282.43 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene is sourced from PubChem (CID 19879754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).