5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine

C21H27NO4 — CID 632120

IUPAC5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine
SMILESCOc1ccc2c(c1)C(N(C)C)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C21H27NO4/c1-22(2)17-10-7-13-11-18(24-4)20(25-5)21(26-6)19(13)15-9-8-14(23-3)12-16(15)17/h8-9,11-12,17H,7,10H2,1-6H3
InChIKeyTXCJITNHLXZIKF-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.94
Rot. Bonds5

About 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine

5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine (PubChem CID 632120) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine.

Molecular Properties

Compound Name5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine
PubChem CID632120
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine
SMILESCOc1ccc2c(c1)C(N(C)C)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C21H27NO4/c1-22(2)17-10-7-13-11-18(24-4)20(25-5)21(26-6)19(13)15-9-8-14(23-3)12-16(15)17/h8-9,11-12,17H,7,10H2,1-6H3
InChIKeyTXCJITNHLXZIKF-UHFFFAOYSA-N
XLogP3.94
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine with MolForge

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Related Compounds

7-(dimethylamino)-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 632895
(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
CID 24754568
N-methyl-N-(1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide
CID 5203914
(7S)-7-(dimethylamino)-3-hydroxy-1,2,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 162851607
2,2,2-trifluoro-N-(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-N-methylacetamide
CID 4244902
(7S)-10-hydroxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 14832010
1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepine-7-carbaldehyde
CID 46838923
10-ethoxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 4587108
(7R)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 638269
6-(2-methoxyphenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 25154405
(2R)-2-amino-6-[[(7S)-1,2,3-trimethoxy-7-[methyl(nitroso)amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]hexanoic acid
CID 40806671
7-hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 633058

Frequently Asked Questions

What is the IUPAC name of 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine?
The IUPAC name of 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine (CID 632120) is 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine.
What is the SMILES notation for 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine?
The canonical SMILES for 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine is COc1ccc2c(c1)C(N(C)C)CCc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine?
The InChIKey is TXCJITNHLXZIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-22(2)17-10-7-13-11-18(24-4)20(25-5)21(26-6)19(13)15-9-8-14(23-3)12-16(15)17/h8-9,11-12,17H,7,10H2,1-6H3.
What are the key properties of 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine?
5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine has a molecular weight of 357.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine is sourced from PubChem (CID 632120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).