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

C19H42N6 — CID 118278399

IUPAC1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
SMILESCCC(N1CCN(C)CCN(C)CC1)N1CCN(C)CCN(C)CC1
InChIInChI=1S/C19H42N6/c1-6-19(24-15-11-20(2)7-8-21(3)12-16-24)25-17-13-22(4)9-10-23(5)14-18-25/h19H,6-18H2,1-5H3
InChIKeyWOSUVEQFTYPEFB-UHFFFAOYSA-N
MW354.59 g/mol
LogP0.08
Rot. Bonds3

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

1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane (PubChem CID 118278399) has the molecular formula C19H42N6 and a molecular weight of 354.59 g/mol. Its IUPAC name is 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane.

Molecular Properties

Compound Name1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
PubChem CID118278399
Molecular FormulaC19H42N6
Molecular Weight354.59 g/mol
Exact Mass354.35
IUPAC Name1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
SMILESCCC(N1CCN(C)CCN(C)CC1)N1CCN(C)CCN(C)CC1
InChIInChI=1S/C19H42N6/c1-6-19(24-15-11-20(2)7-8-21(3)12-16-24)25-17-13-22(4)9-10-23(5)14-18-25/h19H,6-18H2,1-5H3
InChIKeyWOSUVEQFTYPEFB-UHFFFAOYSA-N
XLogP0.08
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane?
The IUPAC name of 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane (CID 118278399) is 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane.
What is the SMILES notation for 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane?
The canonical SMILES for 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane is CCC(N1CCN(C)CCN(C)CC1)N1CCN(C)CCN(C)CC1.
What is the InChIKey of 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane?
The InChIKey is WOSUVEQFTYPEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N6/c1-6-19(24-15-11-20(2)7-8-21(3)12-16-24)25-17-13-22(4)9-10-23(5)14-18-25/h19H,6-18H2,1-5H3.
What are the key properties of 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane?
1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane has a molecular weight of 354.59 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane is sourced from PubChem (CID 118278399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).