7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine

C20H23N3O2 — CID 138712012

IUPAC7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine
SMILESC/C=C\C1=C(/C=C/Nc2ccc3c4c(n(C)c3n2)CCC4)OCCO1
InChIInChI=1S/C20H23N3O2/c1-3-5-17-18(25-13-12-24-17)10-11-21-19-9-8-15-14-6-4-7-16(14)23(2)20(15)22-19/h3,5,8-11H,4,6-7,12-13H2,1-2H3,(H,21,22)/b5-3-,11-10+
InChIKeyHBMHQCUPAHNYAS-OFSYMQIBSA-N
MW337.42 g/mol
LogP3.82
Rot. Bonds4

About 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine

7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine (PubChem CID 138712012) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine.

Molecular Properties

Compound Name7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine
PubChem CID138712012
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine
SMILESC/C=C\C1=C(/C=C/Nc2ccc3c4c(n(C)c3n2)CCC4)OCCO1
InChIInChI=1S/C20H23N3O2/c1-3-5-17-18(25-13-12-24-17)10-11-21-19-9-8-15-14-6-4-7-16(14)23(2)20(15)22-19/h3,5,8-11H,4,6-7,12-13H2,1-2H3,(H,21,22)/b5-3-,11-10+
InChIKeyHBMHQCUPAHNYAS-OFSYMQIBSA-N
XLogP3.82
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine?
The IUPAC name of 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine (CID 138712012) is 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine.
What is the SMILES notation for 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine?
The canonical SMILES for 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine is C/C=C\C1=C(/C=C/Nc2ccc3c4c(n(C)c3n2)CCC4)OCCO1.
What is the InChIKey of 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine?
The InChIKey is HBMHQCUPAHNYAS-OFSYMQIBSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-5-17-18(25-13-12-24-17)10-11-21-19-9-8-15-14-6-4-7-16(14)23(2)20(15)22-19/h3,5,8-11H,4,6-7,12-13H2,1-2H3,(H,21,22)/b5-3-,11-10+.
What are the key properties of 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine?
7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine has a molecular weight of 337.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine is sourced from PubChem (CID 138712012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).