2-benzyl-1,4,7-trimethyl-1,4,7-triazonane

C16H27N3 — CID 19975076

IUPAC2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
SMILESCN1CCN(C)CC(Cc2ccccc2)N(C)CC1
InChIInChI=1S/C16H27N3/c1-17-9-10-18(2)14-16(19(3)12-11-17)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyYMZSLCSDMHLNPW-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.41
Rot. Bonds2

About 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane

2-benzyl-1,4,7-trimethyl-1,4,7-triazonane (PubChem CID 19975076) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane.

Molecular Properties

Compound Name2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
PubChem CID19975076
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
SMILESCN1CCN(C)CC(Cc2ccccc2)N(C)CC1
InChIInChI=1S/C16H27N3/c1-17-9-10-18(2)14-16(19(3)12-11-17)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyYMZSLCSDMHLNPW-UHFFFAOYSA-N
XLogP1.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane 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 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane?
The IUPAC name of 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane (CID 19975076) is 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane.
What is the SMILES notation for 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane?
The canonical SMILES for 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane is CN1CCN(C)CC(Cc2ccccc2)N(C)CC1.
What is the InChIKey of 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane?
The InChIKey is YMZSLCSDMHLNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-9-10-18(2)14-16(19(3)12-11-17)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3.
What are the key properties of 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane?
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane has a molecular weight of 261.41 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,4,7-trimethyl-1,4,7-triazonane is sourced from PubChem (CID 19975076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).