13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane

C19H33N3 — CID 123447330

IUPAC13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)C2CNCCC2N2C3CCNCC3C3CCCC1C32
InChIInChI=1S/C19H33N3/c1-19(2)14-5-3-4-12-13-10-20-8-6-16(13)22(18(12)14)17-7-9-21-11-15(17)19/h12-18,20-21H,3-11H2,1-2H3
InChIKeyXBFYWLOWVNKYBP-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.08
Rot. Bonds

About 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane

13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane (PubChem CID 123447330) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane.

Molecular Properties

Compound Name13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
PubChem CID123447330
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)C2CNCCC2N2C3CCNCC3C3CCCC1C32
InChIInChI=1S/C19H33N3/c1-19(2)14-5-3-4-12-13-10-20-8-6-16(13)22(18(12)14)17-7-9-21-11-15(17)19/h12-18,20-21H,3-11H2,1-2H3
InChIKeyXBFYWLOWVNKYBP-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The IUPAC name of 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane (CID 123447330) is 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane.
What is the SMILES notation for 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The canonical SMILES for 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane is CC1(C)C2CNCCC2N2C3CCNCC3C3CCCC1C32.
What is the InChIKey of 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The InChIKey is XBFYWLOWVNKYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-19(2)14-5-3-4-12-13-10-20-8-6-16(13)22(18(12)14)17-7-9-21-11-15(17)19/h12-18,20-21H,3-11H2,1-2H3.
What are the key properties of 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane has a molecular weight of 303.49 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane is sourced from PubChem (CID 123447330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).