10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine

C13H18N2O — CID 67264051

IUPAC10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine
SMILESCC(C)N1CC2OC(C1)c1cc(N)ccc12
InChIInChI=1S/C13H18N2O/c1-8(2)15-6-12-10-4-3-9(14)5-11(10)13(7-15)16-12/h3-5,8,12-13H,6-7,14H2,1-2H3
InChIKeyCCMUMBKTESFEQA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.11
Rot. Bonds1

About 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine

10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine (PubChem CID 67264051) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine.

Molecular Properties

Compound Name10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine
PubChem CID67264051
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine
SMILESCC(C)N1CC2OC(C1)c1cc(N)ccc12
InChIInChI=1S/C13H18N2O/c1-8(2)15-6-12-10-4-3-9(14)5-11(10)13(7-15)16-12/h3-5,8,12-13H,6-7,14H2,1-2H3
InChIKeyCCMUMBKTESFEQA-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine?
The IUPAC name of 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine (CID 67264051) is 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine.
What is the SMILES notation for 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine?
The canonical SMILES for 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine is CC(C)N1CC2OC(C1)c1cc(N)ccc12.
What is the InChIKey of 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine?
The InChIKey is CCMUMBKTESFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)15-6-12-10-4-3-9(14)5-11(10)13(7-15)16-12/h3-5,8,12-13H,6-7,14H2,1-2H3.
What are the key properties of 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine?
10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-amine is sourced from PubChem (CID 67264051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).