(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine

C13H22N2 — CID 174356829

IUPAC(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine
SMILESCCN1/C=N\C(C)(C)/C=C\C=C/C1(C)C
InChIInChI=1S/C13H22N2/c1-6-15-11-14-12(2,3)9-7-8-10-13(15,4)5/h7-11H,6H2,1-5H3/b9-7-,10-8-,14-11-
InChIKeyOEDZOPDBVDBOOM-ZFOSIZNQSA-N
MW206.33 g/mol
LogP3.02
Rot. Bonds1

About (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine

(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine (PubChem CID 174356829) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine.

Molecular Properties

Compound Name(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine
PubChem CID174356829
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine
SMILESCCN1/C=N\C(C)(C)/C=C\C=C/C1(C)C
InChIInChI=1S/C13H22N2/c1-6-15-11-14-12(2,3)9-7-8-10-13(15,4)5/h7-11H,6H2,1-5H3/b9-7-,10-8-,14-11-
InChIKeyOEDZOPDBVDBOOM-ZFOSIZNQSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine?
The IUPAC name of (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine (CID 174356829) is (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine.
What is the SMILES notation for (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine?
The canonical SMILES for (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine is CCN1/C=N\C(C)(C)/C=C\C=C/C1(C)C.
What is the InChIKey of (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine?
The InChIKey is OEDZOPDBVDBOOM-ZFOSIZNQSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-15-11-14-12(2,3)9-7-8-10-13(15,4)5/h7-11H,6H2,1-5H3/b9-7-,10-8-,14-11-.
What are the key properties of (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine?
(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine has a molecular weight of 206.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine is sourced from PubChem (CID 174356829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).