1,6-diethyl-1,6-diazecane

C12H26N2 — CID 172611513

IUPAC1,6-diethyl-1,6-diazecane
SMILESCCN1CCCCN(CC)CCCC1
InChIInChI=1S/C12H26N2/c1-3-13-9-5-7-11-14(4-2)12-8-6-10-13/h3-12H2,1-2H3
InChIKeyNRJOPSMWCUVKMW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds2

About 1,6-diethyl-1,6-diazecane

1,6-diethyl-1,6-diazecane (PubChem CID 172611513) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,6-diethyl-1,6-diazecane.

Molecular Properties

Compound Name1,6-diethyl-1,6-diazecane
PubChem CID172611513
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1,6-diethyl-1,6-diazecane
SMILESCCN1CCCCN(CC)CCCC1
InChIInChI=1S/C12H26N2/c1-3-13-9-5-7-11-14(4-2)12-8-6-10-13/h3-12H2,1-2H3
InChIKeyNRJOPSMWCUVKMW-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethyl-1,6-diazecane?
The IUPAC name of 1,6-diethyl-1,6-diazecane (CID 172611513) is 1,6-diethyl-1,6-diazecane.
What is the SMILES notation for 1,6-diethyl-1,6-diazecane?
The canonical SMILES for 1,6-diethyl-1,6-diazecane is CCN1CCCCN(CC)CCCC1.
What is the InChIKey of 1,6-diethyl-1,6-diazecane?
The InChIKey is NRJOPSMWCUVKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-13-9-5-7-11-14(4-2)12-8-6-10-13/h3-12H2,1-2H3.
What are the key properties of 1,6-diethyl-1,6-diazecane?
1,6-diethyl-1,6-diazecane has a molecular weight of 198.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethyl-1,6-diazecane is sourced from PubChem (CID 172611513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).