1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane

C14H30N6 — CID 15220325

IUPAC1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane
SMILESC1CN2CCN3CCCN(CNCCNCN(C1)C2)C3
InChIInChI=1S/C14H30N6/c1-5-17-9-10-18-6-2-8-20(14-18)12-16-4-3-15-11-19(7-1)13-17/h15-16H,1-14H2
InChIKeyVFWPJEAEVLPWFV-UHFFFAOYSA-N
MW282.44 g/mol
LogP-0.98
Rot. Bonds

About 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane

1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane (PubChem CID 15220325) has the molecular formula C14H30N6 and a molecular weight of 282.44 g/mol. Its IUPAC name is 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane.

Molecular Properties

Compound Name1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane
PubChem CID15220325
Molecular FormulaC14H30N6
Molecular Weight282.44 g/mol
Exact Mass282.25
IUPAC Name1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane
SMILESC1CN2CCN3CCCN(CNCCNCN(C1)C2)C3
InChIInChI=1S/C14H30N6/c1-5-17-9-10-18-6-2-8-20(14-18)12-16-4-3-15-11-19(7-1)13-17/h15-16H,1-14H2
InChIKeyVFWPJEAEVLPWFV-UHFFFAOYSA-N
XLogP-0.98
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
The IUPAC name of 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane (CID 15220325) is 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane.
What is the SMILES notation for 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
The canonical SMILES for 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane is C1CN2CCN3CCCN(CNCCNCN(C1)C2)C3.
What is the InChIKey of 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
The InChIKey is VFWPJEAEVLPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N6/c1-5-17-9-10-18-6-2-8-20(14-18)12-16-4-3-15-11-19(7-1)13-17/h15-16H,1-14H2.
What are the key properties of 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane has a molecular weight of 282.44 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane is sourced from PubChem (CID 15220325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).