1,4,8,11-tetrazacyclotetradec-10-ene

C10H22N4 — CID 22957943

IUPAC1,4,8,11-tetrazacyclotetradec-10-ene
SMILESC1=N/CCCNCCNCCCNC/1
InChIInChI=1S/C10H22N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h7,12-14H,1-6,8-10H2/b11-7+
InChIKeyMRLKMCJVGAIGGE-YRNVUSSQSA-N
MW198.31 g/mol
LogP-0.38
Rot. Bonds

About 1,4,8,11-tetrazacyclotetradec-10-ene

1,4,8,11-tetrazacyclotetradec-10-ene (PubChem CID 22957943) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,4,8,11-tetrazacyclotetradec-10-ene.

Molecular Properties

Compound Name1,4,8,11-tetrazacyclotetradec-10-ene
PubChem CID22957943
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1,4,8,11-tetrazacyclotetradec-10-ene
SMILESC1=N/CCCNCCNCCCNC/1
InChIInChI=1S/C10H22N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h7,12-14H,1-6,8-10H2/b11-7+
InChIKeyMRLKMCJVGAIGGE-YRNVUSSQSA-N
XLogP-0.38
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetrazacyclotetradec-10-ene?
The IUPAC name of 1,4,8,11-tetrazacyclotetradec-10-ene (CID 22957943) is 1,4,8,11-tetrazacyclotetradec-10-ene.
What is the SMILES notation for 1,4,8,11-tetrazacyclotetradec-10-ene?
The canonical SMILES for 1,4,8,11-tetrazacyclotetradec-10-ene is C1=N/CCCNCCNCCCNC/1.
What is the InChIKey of 1,4,8,11-tetrazacyclotetradec-10-ene?
The InChIKey is MRLKMCJVGAIGGE-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H22N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h7,12-14H,1-6,8-10H2/b11-7+.
What are the key properties of 1,4,8,11-tetrazacyclotetradec-10-ene?
1,4,8,11-tetrazacyclotetradec-10-ene has a molecular weight of 198.31 g/mol, XLogP of -0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrazacyclotetradec-10-ene is sourced from PubChem (CID 22957943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).