1,2,5,8-tetrazecane

C6H16N4 — CID 14549064

IUPAC1,2,5,8-tetrazecane
SMILESC1CNCCNNCCN1
InChIInChI=1S/C6H16N4/c1-2-8-4-6-10-9-5-3-7-1/h7-10H,1-6H2
InChIKeyRMMFBFFGGLOIKT-UHFFFAOYSA-N
MW144.22 g/mol
LogP-1.73
Rot. Bonds

About 1,2,5,8-tetrazecane

1,2,5,8-tetrazecane (PubChem CID 14549064) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1,2,5,8-tetrazecane.

Molecular Properties

Compound Name1,2,5,8-tetrazecane
PubChem CID14549064
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1,2,5,8-tetrazecane
SMILESC1CNCCNNCCN1
InChIInChI=1S/C6H16N4/c1-2-8-4-6-10-9-5-3-7-1/h7-10H,1-6H2
InChIKeyRMMFBFFGGLOIKT-UHFFFAOYSA-N
XLogP-1.73
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,8-tetrazecane?
The IUPAC name of 1,2,5,8-tetrazecane (CID 14549064) is 1,2,5,8-tetrazecane.
What is the SMILES notation for 1,2,5,8-tetrazecane?
The canonical SMILES for 1,2,5,8-tetrazecane is C1CNCCNNCCN1.
What is the InChIKey of 1,2,5,8-tetrazecane?
The InChIKey is RMMFBFFGGLOIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-2-8-4-6-10-9-5-3-7-1/h7-10H,1-6H2.
What are the key properties of 1,2,5,8-tetrazecane?
1,2,5,8-tetrazecane has a molecular weight of 144.22 g/mol, XLogP of -1.73, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,8-tetrazecane is sourced from PubChem (CID 14549064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).