7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium

C18H34N3+ — CID 77305294

IUPAC7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium
SMILESC/C1=[N+](\C2=CCCCCCCCC2)CCCNCCNC1
InChIInChI=1S/C18H34N3/c1-17-16-20-14-13-19-12-9-15-21(17)18-10-7-5-3-2-4-6-8-11-18/h10,19-20H,2-9,11-16H2,1H3/q+1/b18-10?,21-17+
InChIKeyFXUVFWKNVHXODA-JRLQIWNFSA-N
MW292.49 g/mol
LogP3.06
Rot. Bonds1

About 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium

7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium (PubChem CID 77305294) has the molecular formula C18H34N3+ and a molecular weight of 292.49 g/mol. Its IUPAC name is 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium.

Molecular Properties

Compound Name7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium
PubChem CID77305294
Molecular FormulaC18H34N3+
Molecular Weight292.49 g/mol
Exact Mass292.27
IUPAC Name7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium
SMILESC/C1=[N+](\C2=CCCCCCCCC2)CCCNCCNC1
InChIInChI=1S/C18H34N3/c1-17-16-20-14-13-19-12-9-15-21(17)18-10-7-5-3-2-4-6-8-11-18/h10,19-20H,2-9,11-16H2,1H3/q+1/b18-10?,21-17+
InChIKeyFXUVFWKNVHXODA-JRLQIWNFSA-N
XLogP3.06
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium?
The IUPAC name of 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium (CID 77305294) is 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium.
What is the SMILES notation for 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium?
The canonical SMILES for 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium is C/C1=[N+](\C2=CCCCCCCCC2)CCCNCCNC1.
What is the InChIKey of 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium?
The InChIKey is FXUVFWKNVHXODA-JRLQIWNFSA-N. The full InChI is InChI=1S/C18H34N3/c1-17-16-20-14-13-19-12-9-15-21(17)18-10-7-5-3-2-4-6-8-11-18/h10,19-20H,2-9,11-16H2,1H3/q+1/b18-10?,21-17+.
What are the key properties of 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium?
7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium has a molecular weight of 292.49 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclodecen-1-yl)-6-methyl-1,2,3,4,5,8,9,10-octahydro-1,4,7-triazecin-7-ium is sourced from PubChem (CID 77305294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).