6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

C26H43NO3 — CID 162964702

IUPAC6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
SMILESCC1CCC2C(O)C3CCC4C(CC5C4CC(O)C4CC(O)CCC45C)C3CN2C1
InChIInChI=1S/C26H43NO3/c1-14-3-6-23-25(30)17-5-4-16-18(20(17)13-27(23)12-14)10-21-19(16)11-24(29)22-9-15(28)7-8-26(21,22)2/h14-25,28-30H,3-13H2,1-2H3
InChIKeyOYRRBVACNDOANR-UHFFFAOYSA-N
MW417.63 g/mol
LogP3.29
Rot. Bonds

About 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol (PubChem CID 162964702) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol.

Molecular Properties

Compound Name6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
PubChem CID162964702
Molecular FormulaC26H43NO3
Molecular Weight417.63 g/mol
Exact Mass417.32
IUPAC Name6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
SMILESCC1CCC2C(O)C3CCC4C(CC5C4CC(O)C4CC(O)CCC45C)C3CN2C1
InChIInChI=1S/C26H43NO3/c1-14-3-6-23-25(30)17-5-4-16-18(20(17)13-27(23)12-14)10-21-19(16)11-24(29)22-9-15(28)7-8-26(21,22)2/h14-25,28-30H,3-13H2,1-2H3
InChIKeyOYRRBVACNDOANR-UHFFFAOYSA-N
XLogP3.29
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.63
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol with MolForge

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Related Compounds

(1S,2S,6R,9R,10R,11R,14S,15R,17S,18S,20S,23S,24R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
CID 124837846
(1R,2S,6S,9S,10S,11S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
CID 10364556
(1R,2S,6S,9R,10R,11S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
CID 163069640
(1R,2S,9R,10S,11R,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
CID 101189432
ethanol;bis((1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol);hydrate
CID 139057784
(1S,2R,6S,9S,10S,11S,14R,15R,20S,23R,24R)-6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-17-ene-10,20-diol
CID 162928076
(1R,2R,6R,9R,10R,11S,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
CID 162943680
(1R,2S,6R,9S,10R,11R,14S,15S,18S,20S,23R,24R)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
CID 162943675
(1R,6R,9S,10R,14S,15S,17R,18S,20S,23R,24R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-ene-17,20-diol
CID 162907941
6,23-dimethyl-10-(6-phenyl-3-bicyclo[3.3.1]nonanyl)-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
CID 163125606
10-(9-benzyldispiro[4.1.47.35]tetradecan-13-yl)-6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
CID 163162797
[(1R,2S,6R,9S,10R,11S,15R,17R,18S,20R,23R,24S)-17-acetyloxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl] acetate
CID 176519975

Frequently Asked Questions

What is the IUPAC name of 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol?
The IUPAC name of 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol (CID 162964702) is 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol.
What is the SMILES notation for 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol?
The canonical SMILES for 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol is CC1CCC2C(O)C3CCC4C(CC5C4CC(O)C4CC(O)CCC45C)C3CN2C1.
What is the InChIKey of 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol?
The InChIKey is OYRRBVACNDOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3/c1-14-3-6-23-25(30)17-5-4-16-18(20(17)13-27(23)12-14)10-21-19(16)11-24(29)22-9-15(28)7-8-26(21,22)2/h14-25,28-30H,3-13H2,1-2H3.
What are the key properties of 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol?
6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol has a molecular weight of 417.63 g/mol, XLogP of 3.29, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,23-dimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol is sourced from PubChem (CID 162964702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).