(3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine

C22H20N2O — CID 155226477

IUPAC(3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine
SMILESCC1(C)/C=c2\nc(-c3ccccc3)o\c2=C\C=C(/N)c2ccccc21
InChIInChI=1S/C22H20N2O/c1-22(2)14-19-20(25-21(24-19)15-8-4-3-5-9-15)13-12-18(23)16-10-6-7-11-17(16)22/h3-14H,23H2,1-2H3/b18-12-,19-14+,20-13+
InChIKeyGNVNYRVVEOVCCH-ZDONSGIESA-N
MW328.42 g/mol
LogP3.19
Rot. Bonds1

About (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine

(3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine (PubChem CID 155226477) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine.

Molecular Properties

Compound Name(3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine
PubChem CID155226477
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine
SMILESCC1(C)/C=c2\nc(-c3ccccc3)o\c2=C\C=C(/N)c2ccccc21
InChIInChI=1S/C22H20N2O/c1-22(2)14-19-20(25-21(24-19)15-8-4-3-5-9-15)13-12-18(23)16-10-6-7-11-17(16)22/h3-14H,23H2,1-2H3/b18-12-,19-14+,20-13+
InChIKeyGNVNYRVVEOVCCH-ZDONSGIESA-N
XLogP3.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine?
The IUPAC name of (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine (CID 155226477) is (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine.
What is the SMILES notation for (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine?
The canonical SMILES for (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine is CC1(C)/C=c2\nc(-c3ccccc3)o\c2=C\C=C(/N)c2ccccc21.
What is the InChIKey of (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine?
The InChIKey is GNVNYRVVEOVCCH-ZDONSGIESA-N. The full InChI is InChI=1S/C22H20N2O/c1-22(2)14-19-20(25-21(24-19)15-8-4-3-5-9-15)13-12-18(23)16-10-6-7-11-17(16)22/h3-14H,23H2,1-2H3/b18-12-,19-14+,20-13+.
What are the key properties of (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine?
(3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine has a molecular weight of 328.42 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine is sourced from PubChem (CID 155226477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).