1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine

C19H21NO2 — CID 11197196

IUPAC1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccccc3[C@@H]2O1
InChIInChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13-,16+,19-/m0/s1
InChIKeyKUCRPWOVGMMXDP-CRFBAAHOSA-N
MW295.38 g/mol
LogP3.97
Rot. Bonds2

About 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine

1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine (PubChem CID 11197196) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine
PubChem CID11197196
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccccc3[C@@H]2O1
InChIInChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13-,16+,19-/m0/s1
InChIKeyKUCRPWOVGMMXDP-CRFBAAHOSA-N
XLogP3.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[(2S,4R,6R)-17-bromo-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
CID 11462958
1-[(2S,4S,6R)-17-fluoro-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
CID 11162779
(2S,4R,6R)-4-(bromomethyl)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 101273830
(2S,4S,6R)-4-(bromomethyl)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 101273827
N,N-dimethyl-1-[(2R,4S,6R)-5-oxa-10,12-dithiatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaen-4-yl]methanamine
CID 59721165
(2S,4R,6R,13S)-4-[(dimethylamino)methyl]-17-fluoro-13-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-13-ol
CID 58948749
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
CID 20560227
[(2S,4R,6R)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanol
CID 12013689
9-methyl-9H-xanthene;propane
CID 143256907
(2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene
CID 7068804
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 68764179

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine (CID 11197196) is 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine is CN(C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccccc3[C@@H]2O1.
What is the InChIKey of 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine?
The InChIKey is KUCRPWOVGMMXDP-CRFBAAHOSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13-,16+,19-/m0/s1.
What are the key properties of 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine?
1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine has a molecular weight of 295.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11197196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).