(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

C24H33NO — CID 11089466

IUPAC(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCCc1ccc(C2=C[C@]34CCCC[C@H]3[C@@]2(N(C)C)C=C4OCC)cc1
InChIInChI=1S/C24H33NO/c1-5-9-18-11-13-19(14-12-18)20-16-23-15-8-7-10-21(23)24(20,25(3)4)17-22(23)26-6-2/h11-14,16-17,21H,5-10,15H2,1-4H3/t21-,23-,24-/m1/s1
InChIKeyBNEZYVLKBVIJKC-GMKZXUHWSA-N
MW351.53 g/mol
LogP5.45
Rot. Bonds6

About (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine (PubChem CID 11089466) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine.

Molecular Properties

Compound Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
PubChem CID11089466
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCCc1ccc(C2=C[C@]34CCCC[C@H]3[C@@]2(N(C)C)C=C4OCC)cc1
InChIInChI=1S/C24H33NO/c1-5-9-18-11-13-19(14-12-18)20-16-23-15-8-7-10-21(23)24(20,25(3)4)17-22(23)26-6-2/h11-14,16-17,21H,5-10,15H2,1-4H3/t21-,23-,24-/m1/s1
InChIKeyBNEZYVLKBVIJKC-GMKZXUHWSA-N
XLogP5.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[4-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11164803
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11164804
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[2-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11360917
(1S,6S,7S)-10-ethoxy-N,N-dimethyl-8-[4-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 23230492
(1S,6S,7S)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 23230493
(1S,6S,7S)-10-ethoxy-N,N-dimethyl-8-[2-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 23232086
(2S)-1-[(1R,6S,7R,8S)-10,11-diethoxy-8-phenyl-7-tricyclo[5.3.2.01,6]dodeca-9,11-dienyl]-2-(methoxymethyl)pyrrolidine
CID 102024016
N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane
CID 144971941
N-ethyl-N-[[4-[(5S,7R,8R)-3-methylidene-8-prop-1-en-2-yl-2-oxaspiro[4.5]decan-7-yl]phenyl]methyl]ethanamine
CID 170038916
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[4-(4-propylphenyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 10862871
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 10892258
(1S,6R,7R)-10-ethoxy-N,N-dimethyl-9-phenyl-8-[(E)-4-phenylbut-1-en-3-ynyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 10895388

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The IUPAC name of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine (CID 11089466) is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[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-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The canonical SMILES for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is CCCc1ccc(C2=C[C@]34CCCC[C@H]3[C@@]2(N(C)C)C=C4OCC)cc1.
What is the InChIKey of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The InChIKey is BNEZYVLKBVIJKC-GMKZXUHWSA-N. The full InChI is InChI=1S/C24H33NO/c1-5-9-18-11-13-19(14-12-18)20-16-23-15-8-7-10-21(23)24(20,25(3)4)17-22(23)26-6-2/h11-14,16-17,21H,5-10,15H2,1-4H3/t21-,23-,24-/m1/s1.
What are the key properties of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine has a molecular weight of 351.53 g/mol, XLogP of 5.45, 6 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-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is sourced from PubChem (CID 11089466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).