1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane

C15H34N6 — CID 11092972

IUPAC1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane
SMILESC(CN1CCNCCNCC1)CN1CCNCCNCC1
InChIInChI=1S/C15H34N6/c1(10-20-12-6-16-2-3-17-7-13-20)11-21-14-8-18-4-5-19-9-15-21/h16-19H,1-15H2
InChIKeyXVHVTFGPNIYFIJ-UHFFFAOYSA-N
MW298.48 g/mol
LogP-1.63
Rot. Bonds4

About 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane

1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane (PubChem CID 11092972) has the molecular formula C15H34N6 and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane.

Molecular Properties

Compound Name1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane
PubChem CID11092972
Molecular FormulaC15H34N6
Molecular Weight298.48 g/mol
Exact Mass298.28
IUPAC Name1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane
SMILESC(CN1CCNCCNCC1)CN1CCNCCNCC1
InChIInChI=1S/C15H34N6/c1(10-20-12-6-16-2-3-17-7-13-20)11-21-14-8-18-4-5-19-9-15-21/h16-19H,1-15H2
InChIKeyXVHVTFGPNIYFIJ-UHFFFAOYSA-N
XLogP-1.63
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane?
The IUPAC name of 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane (CID 11092972) is 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane.
What is the SMILES notation for 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane?
The canonical SMILES for 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane is C(CN1CCNCCNCC1)CN1CCNCCNCC1.
What is the InChIKey of 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane?
The InChIKey is XVHVTFGPNIYFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N6/c1(10-20-12-6-16-2-3-17-7-13-20)11-21-14-8-18-4-5-19-9-15-21/h16-19H,1-15H2.
What are the key properties of 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane?
1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane has a molecular weight of 298.48 g/mol, XLogP of -1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4,7-triazonan-1-yl)propyl]-1,4,7-triazonane is sourced from PubChem (CID 11092972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).