(Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine

C19H24N2O — CID 134385802

IUPAC(Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine
SMILESCCC1(C)C/C(=C\N)Cc2cccc3c(OC)ccc(c23)N1
InChIInChI=1S/C19H24N2O/c1-4-19(2)11-13(12-20)10-14-6-5-7-15-17(22-3)9-8-16(21-19)18(14)15/h5-9,12,21H,4,10-11,20H2,1-3H3/b13-12-
InChIKeyVNZGYYSZKGRILQ-SEYXRHQNSA-N
MW296.41 g/mol
LogP4.22
Rot. Bonds2

About (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine

(Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine (PubChem CID 134385802) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine
PubChem CID134385802
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine
SMILESCCC1(C)C/C(=C\N)Cc2cccc3c(OC)ccc(c23)N1
InChIInChI=1S/C19H24N2O/c1-4-19(2)11-13(12-20)10-14-6-5-7-15-17(22-3)9-8-16(21-19)18(14)15/h5-9,12,21H,4,10-11,20H2,1-3H3/b13-12-
InChIKeyVNZGYYSZKGRILQ-SEYXRHQNSA-N
XLogP4.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine?
The IUPAC name of (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine (CID 134385802) is (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine.
What is the SMILES notation for (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine?
The canonical SMILES for (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine is CCC1(C)C/C(=C\N)Cc2cccc3c(OC)ccc(c23)N1.
What is the InChIKey of (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine?
The InChIKey is VNZGYYSZKGRILQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-19(2)11-13(12-20)10-14-6-5-7-15-17(22-3)9-8-16(21-19)18(14)15/h5-9,12,21H,4,10-11,20H2,1-3H3/b13-12-.
What are the key properties of (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine?
(Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine has a molecular weight of 296.41 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine is sourced from PubChem (CID 134385802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).