(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

C25H29NO — CID 11360378

IUPAC(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCOC1=C[C@@]2(N(C)C)C(c3cccc4ccccc34)=C[C@@]13CCCC[C@H]32
InChIInChI=1S/C25H29NO/c1-4-27-23-17-25(26(2)3)21(16-24(23)15-8-7-14-22(24)25)20-13-9-11-18-10-5-6-12-19(18)20/h5-6,9-13,16-17,22H,4,7-8,14-15H2,1-3H3/t22-,24-,25-/m1/s1
InChIKeyVSFGNLTYLXYIHM-QLBJFCOMSA-N
MW359.51 g/mol
LogP5.65
Rot. Bonds4

About (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine (PubChem CID 11360378) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine.

Molecular Properties

Compound Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
PubChem CID11360378
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCOC1=C[C@@]2(N(C)C)C(c3cccc4ccccc34)=C[C@@]13CCCC[C@H]32
InChIInChI=1S/C25H29NO/c1-4-27-23-17-25(26(2)3)21(16-24(23)15-8-7-14-22(24)25)20-13-9-11-18-10-5-6-12-19(18)20/h5-6,9-13,16-17,22H,4,7-8,14-15H2,1-3H3/t22-,24-,25-/m1/s1
InChIKeyVSFGNLTYLXYIHM-QLBJFCOMSA-N
XLogP5.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The IUPAC name of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine (CID 11360378) is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine.
What is the SMILES notation for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The canonical SMILES for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is CCOC1=C[C@@]2(N(C)C)C(c3cccc4ccccc34)=C[C@@]13CCCC[C@H]32.
What is the InChIKey of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The InChIKey is VSFGNLTYLXYIHM-QLBJFCOMSA-N. The full InChI is InChI=1S/C25H29NO/c1-4-27-23-17-25(26(2)3)21(16-24(23)15-8-7-14-22(24)25)20-13-9-11-18-10-5-6-12-19(18)20/h5-6,9-13,16-17,22H,4,7-8,14-15H2,1-3H3/t22-,24-,25-/m1/s1.
What are the key properties of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine has a molecular weight of 359.51 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-naphthalen-1-yltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is sourced from PubChem (CID 11360378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).