(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane

C24H50N6 — CID 12014113

IUPAC(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
SMILESC1CNCCCN[C@@H]2CCCC[C@H]2NCCCNCCCN[C@@H]2CCCC[C@H]2NC1
InChIInChI=1S/C24H50N6/c1-2-10-22-21(9-1)27-17-5-13-25-15-7-19-29-23-11-3-4-12-24(23)30-20-8-16-26-14-6-18-28-22/h21-30H,1-20H2/t21-,22-,23-,24-/m1/s1
InChIKeyZNTKBSSCJTZWRX-MOUTVQLLSA-N
MW422.71 g/mol
LogP1.72
Rot. Bonds

About (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane

(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane (PubChem CID 12014113) has the molecular formula C24H50N6 and a molecular weight of 422.71 g/mol. Its IUPAC name is (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane.

Molecular Properties

Compound Name(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
PubChem CID12014113
Molecular FormulaC24H50N6
Molecular Weight422.71 g/mol
Exact Mass422.41
IUPAC Name(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
SMILESC1CNCCCN[C@@H]2CCCC[C@H]2NCCCNCCCN[C@@H]2CCCC[C@H]2NC1
InChIInChI=1S/C24H50N6/c1-2-10-22-21(9-1)27-17-5-13-25-15-7-19-29-23-11-3-4-12-24(23)30-20-8-16-26-14-6-18-28-22/h21-30H,1-20H2/t21-,22-,23-,24-/m1/s1
InChIKeyZNTKBSSCJTZWRX-MOUTVQLLSA-N
XLogP1.72
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.71
LogP ≤ 51.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane?
The IUPAC name of (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane (CID 12014113) is (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane.
What is the SMILES notation for (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane?
The canonical SMILES for (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane is C1CNCCCN[C@@H]2CCCC[C@H]2NCCCNCCCN[C@@H]2CCCC[C@H]2NC1.
What is the InChIKey of (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane?
The InChIKey is ZNTKBSSCJTZWRX-MOUTVQLLSA-N. The full InChI is InChI=1S/C24H50N6/c1-2-10-22-21(9-1)27-17-5-13-25-15-7-19-29-23-11-3-4-12-24(23)30-20-8-16-26-14-6-18-28-22/h21-30H,1-20H2/t21-,22-,23-,24-/m1/s1.
What are the key properties of (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane?
(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane has a molecular weight of 422.71 g/mol, XLogP of 1.72, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane is sourced from PubChem (CID 12014113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).