(1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane

C21H35N3 — CID 14137729

IUPAC(1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane
SMILESC1CCN2C[C@]34C[C@H](C[C@@H]5CCCN(CN6CCCC[C@@H]63)[C@H]54)[C@H]2C1
InChIInChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17-,18+,19+,20+,21+/m0/s1
InChIKeyGFDFZTFQPIBNSQ-FLNLFJTMSA-N
MW329.53 g/mol
LogP3.16
Rot. Bonds

About (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane

(1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane (PubChem CID 14137729) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane.

Molecular Properties

Compound Name(1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane
PubChem CID14137729
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name(1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane
SMILESC1CCN2C[C@]34C[C@H](C[C@@H]5CCCN(CN6CCCC[C@@H]63)[C@H]54)[C@H]2C1
InChIInChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17-,18+,19+,20+,21+/m0/s1
InChIKeyGFDFZTFQPIBNSQ-FLNLFJTMSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane with MolForge

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Related Compounds

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CID 558826
Panamine
CID 281253
(5S,6S,12S,15S,19R,20S,22S)-1,11,21-triazahexacyclo[17.3.1.05,22.06,11.012,21.015,20]tricosane
CID 132521315
(-)-Ormosanine
CID 442959
(1R,2S,6R,11S,13S,14R,21R)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane
CID 44592810
(4aR,6R,6aS,13S,13aR)-13-((R)-piperidin-2-yl)tetradecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine
CID 16401227
Ormosinine
CID 452971
(1R,6R,11S,13S,14R,21R)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane
CID 476521
(2R,7S,10S)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 139292168
Homoormosanine
CID 442953
12,20-Cycloormosanine
CID 442960
Piptanthine
CID 442961

Frequently Asked Questions

What is the IUPAC name of (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane?
The IUPAC name of (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane (CID 14137729) is (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane.
What is the SMILES notation for (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane?
The canonical SMILES for (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane is C1CCN2C[C@]34C[C@H](C[C@@H]5CCCN(CN6CCCC[C@@H]63)[C@H]54)[C@H]2C1.
What is the InChIKey of (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane?
The InChIKey is GFDFZTFQPIBNSQ-FLNLFJTMSA-N. The full InChI is InChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17-,18+,19+,20+,21+/m0/s1.
What are the key properties of (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane?
(1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane has a molecular weight of 329.53 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane is sourced from PubChem (CID 14137729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).