(7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine

C14H18N2O — CID 54220381

IUPAC(7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine
SMILESCc1ccc2oc(CN)c3c2c1CCN(C)C3
InChIInChI=1S/C14H18N2O/c1-9-3-4-12-14-10(9)5-6-16(2)8-11(14)13(7-15)17-12/h3-4H,5-8,15H2,1-2H3
InChIKeyQCDYFWVOLREWMY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.19
Rot. Bonds1

About (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine

(7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine (PubChem CID 54220381) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine.

Molecular Properties

Compound Name(7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine
PubChem CID54220381
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine
SMILESCc1ccc2oc(CN)c3c2c1CCN(C)C3
InChIInChI=1S/C14H18N2O/c1-9-3-4-12-14-10(9)5-6-16(2)8-11(14)13(7-15)17-12/h3-4H,5-8,15H2,1-2H3
InChIKeyQCDYFWVOLREWMY-UHFFFAOYSA-N
XLogP2.19
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine?
The IUPAC name of (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine (CID 54220381) is (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine.
What is the SMILES notation for (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine?
The canonical SMILES for (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine is Cc1ccc2oc(CN)c3c2c1CCN(C)C3.
What is the InChIKey of (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine?
The InChIKey is QCDYFWVOLREWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-3-4-12-14-10(9)5-6-16(2)8-11(14)13(7-15)17-12/h3-4H,5-8,15H2,1-2H3.
What are the key properties of (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine?
(7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methanamine is sourced from PubChem (CID 54220381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).