(1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine

C24H33NO2 — CID 11268638

IUPAC(1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine
SMILESCCOC1=C[C@@H](c2ccccc2)[C@@]2(N(C)C)C=C(OCC)[C@@]13CCCC[C@@H]32
InChIInChI=1S/C24H33NO2/c1-5-26-21-16-19(18-12-8-7-9-13-18)24(25(3)4)17-22(27-6-2)23(21)15-11-10-14-20(23)24/h7-9,12-13,16-17,19-20H,5-6,10-11,14-15H2,1-4H3/t19-,20-,23+,24-/m0/s1
InChIKeyQHRQXFQRVVEXTR-JVODISISSA-N
MW367.53 g/mol
LogP5.12
Rot. Bonds6

About (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine

(1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine (PubChem CID 11268638) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine.

Molecular Properties

Compound Name(1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine
PubChem CID11268638
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine
SMILESCCOC1=C[C@@H](c2ccccc2)[C@@]2(N(C)C)C=C(OCC)[C@@]13CCCC[C@@H]32
InChIInChI=1S/C24H33NO2/c1-5-26-21-16-19(18-12-8-7-9-13-18)24(25(3)4)17-22(27-6-2)23(21)15-11-10-14-20(23)24/h7-9,12-13,16-17,19-20H,5-6,10-11,14-15H2,1-4H3/t19-,20-,23+,24-/m0/s1
InChIKeyQHRQXFQRVVEXTR-JVODISISSA-N
XLogP5.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine?
The IUPAC name of (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine (CID 11268638) is (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine.
What is the SMILES notation for (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine?
The canonical SMILES for (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine is CCOC1=C[C@@H](c2ccccc2)[C@@]2(N(C)C)C=C(OCC)[C@@]13CCCC[C@@H]32.
What is the InChIKey of (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine?
The InChIKey is QHRQXFQRVVEXTR-JVODISISSA-N. The full InChI is InChI=1S/C24H33NO2/c1-5-26-21-16-19(18-12-8-7-9-13-18)24(25(3)4)17-22(27-6-2)23(21)15-11-10-14-20(23)24/h7-9,12-13,16-17,19-20H,5-6,10-11,14-15H2,1-4H3/t19-,20-,23+,24-/m0/s1.
What are the key properties of (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine?
(1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine has a molecular weight of 367.53 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine is sourced from PubChem (CID 11268638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).