(1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine

C17H25NO3 — CID 10017176

IUPAC(1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
SMILESCOc1cc2c(cc1OC)[C@]1(C)C[C@@H](N(C)C)C[C@H](C2)O1
InChIInChI=1S/C17H25NO3/c1-17-10-12(18(2)3)8-13(21-17)6-11-7-15(19-4)16(20-5)9-14(11)17/h7,9,12-13H,6,8,10H2,1-5H3/t12-,13-,17-/m0/s1
InChIKeyOBEVWUQPBAVSPE-DCGLDWPTSA-N
MW291.39 g/mol
LogP2.58
Rot. Bonds3

About (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine

(1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine (PubChem CID 10017176) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine.

Molecular Properties

Compound Name(1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
PubChem CID10017176
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
SMILESCOc1cc2c(cc1OC)[C@]1(C)C[C@@H](N(C)C)C[C@H](C2)O1
InChIInChI=1S/C17H25NO3/c1-17-10-12(18(2)3)8-13(21-17)6-11-7-15(19-4)16(20-5)9-14(11)17/h7,9,12-13H,6,8,10H2,1-5H3/t12-,13-,17-/m0/s1
InChIKeyOBEVWUQPBAVSPE-DCGLDWPTSA-N
XLogP2.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-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 (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The IUPAC name of (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine (CID 10017176) is (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine.
What is the SMILES notation for (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The canonical SMILES for (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine is COc1cc2c(cc1OC)[C@]1(C)C[C@@H](N(C)C)C[C@H](C2)O1.
What is the InChIKey of (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The InChIKey is OBEVWUQPBAVSPE-DCGLDWPTSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17-10-12(18(2)3)8-13(21-17)6-11-7-15(19-4)16(20-5)9-14(11)17/h7,9,12-13H,6,8,10H2,1-5H3/t12-,13-,17-/m0/s1.
What are the key properties of (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
(1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine has a molecular weight of 291.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine is sourced from PubChem (CID 10017176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).