1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol

C19H34N6O — CID 173352856

IUPAC1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol
SMILESOC1CCCC2C1N1NC3CCCC(CC4CCCC5NN2NC45)C3N1
InChIInChI=1S/C19H34N6O/c26-16-9-3-8-15-19(16)25-21-14-7-2-5-12(18(14)23-25)10-11-4-1-6-13-17(11)22-24(15)20-13/h11-23,26H,1-10H2
InChIKeyZTCHLQKETHDCGE-UHFFFAOYSA-N
MW362.52 g/mol
LogP0.40
Rot. Bonds

About 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol

1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol (PubChem CID 173352856) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol.

Molecular Properties

Compound Name1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol
PubChem CID173352856
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol
SMILESOC1CCCC2C1N1NC3CCCC(CC4CCCC5NN2NC45)C3N1
InChIInChI=1S/C19H34N6O/c26-16-9-3-8-15-19(16)25-21-14-7-2-5-12(18(14)23-25)10-11-4-1-6-13-17(11)22-24(15)20-13/h11-23,26H,1-10H2
InChIKeyZTCHLQKETHDCGE-UHFFFAOYSA-N
XLogP0.40
TPSA74.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol?
The IUPAC name of 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol (CID 173352856) is 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol.
What is the SMILES notation for 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol?
The canonical SMILES for 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol is OC1CCCC2C1N1NC3CCCC(CC4CCCC5NN2NC45)C3N1.
What is the InChIKey of 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol?
The InChIKey is ZTCHLQKETHDCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c26-16-9-3-8-15-19(16)25-21-14-7-2-5-12(18(14)23-25)10-11-4-1-6-13-17(11)22-24(15)20-13/h11-23,26H,1-10H2.
What are the key properties of 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol?
1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol has a molecular weight of 362.52 g/mol, XLogP of 0.40, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,9,23,24,25-hexazahexacyclo[19.2.1.18,11.02,7.010,15.017,22]pentacosan-3-ol is sourced from PubChem (CID 173352856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).