(1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine

C17H21NO2 — CID 70834615

IUPAC(1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine
SMILESCOc1ccc2c3c1O[C@H]1C=CC[C@H](C31)[C@H](N(C)C)C2
InChIInChI=1S/C17H21NO2/c1-18(2)12-9-10-7-8-14(19-3)17-15(10)16-11(12)5-4-6-13(16)20-17/h4,6-8,11-13,16H,5,9H2,1-3H3/t11-,12+,13-,16?/m0/s1
InChIKeySJUGYSNZNSPCIA-IVMGVGPUSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds2

About (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine

(1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine (PubChem CID 70834615) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine.

Molecular Properties

Compound Name(1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine
PubChem CID70834615
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine
SMILESCOc1ccc2c3c1O[C@H]1C=CC[C@H](C31)[C@H](N(C)C)C2
InChIInChI=1S/C17H21NO2/c1-18(2)12-9-10-7-8-14(19-3)17-15(10)16-11(12)5-4-6-13(16)20-17/h4,6-8,11-13,16H,5,9H2,1-3H3/t11-,12+,13-,16?/m0/s1
InChIKeySJUGYSNZNSPCIA-IVMGVGPUSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine?
The IUPAC name of (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine (CID 70834615) is (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine.
What is the SMILES notation for (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine?
The canonical SMILES for (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine is COc1ccc2c3c1O[C@H]1C=CC[C@H](C31)[C@H](N(C)C)C2.
What is the InChIKey of (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine?
The InChIKey is SJUGYSNZNSPCIA-IVMGVGPUSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(2)12-9-10-7-8-14(19-3)17-15(10)16-11(12)5-4-6-13(16)20-17/h4,6-8,11-13,16H,5,9H2,1-3H3/t11-,12+,13-,16?/m0/s1.
What are the key properties of (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine?
(1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine has a molecular weight of 271.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-11-methoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-amine is sourced from PubChem (CID 70834615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).