13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane

C19H33N3 — CID 123240796

IUPAC13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)C2CCNCC2N2C3CCCNC3C3CCCC1C32
InChIInChI=1S/C19H33N3/c1-19(2)13-8-10-20-11-16(13)22-15-7-4-9-21-17(15)12-5-3-6-14(19)18(12)22/h12-18,20-21H,3-11H2,1-2H3
InChIKeyNNAOVGAGFPHXRB-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.23
Rot. Bonds

About 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane

13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane (PubChem CID 123240796) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane.

Molecular Properties

Compound Name13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
PubChem CID123240796
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)C2CCNCC2N2C3CCCNC3C3CCCC1C32
InChIInChI=1S/C19H33N3/c1-19(2)13-8-10-20-11-16(13)22-15-7-4-9-21-17(15)12-5-3-6-14(19)18(12)22/h12-18,20-21H,3-11H2,1-2H3
InChIKeyNNAOVGAGFPHXRB-UHFFFAOYSA-N
XLogP2.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The IUPAC name of 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane (CID 123240796) is 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane.
What is the SMILES notation for 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The canonical SMILES for 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane is CC1(C)C2CCNCC2N2C3CCCNC3C3CCCC1C32.
What is the InChIKey of 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The InChIKey is NNAOVGAGFPHXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-19(2)13-8-10-20-11-16(13)22-15-7-4-9-21-17(15)12-5-3-6-14(19)18(12)22/h12-18,20-21H,3-11H2,1-2H3.
What are the key properties of 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane has a molecular weight of 303.49 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane is sourced from PubChem (CID 123240796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).