(6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride

C11H23ClN2 — CID 142308895

IUPAC(6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride
SMILESC/C1=C/C(C)=C/CC/N=C/N1.CC.Cl.[H][H]
InChIInChI=1S/C9H14N2.C2H6.ClH.H2/c1-8-4-3-5-10-7-11-9(2)6-8;1-2;;/h4,6-7H,3,5H2,1-2H3,(H,10,11);1-2H3;2*1H/b8-4+,9-6-;;;
InChIKeyIXUHYVQKIBGBLE-NXSGWXHRSA-N
MW218.77 g/mol
LogP3.55
Rot. Bonds

About (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride

(6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride (PubChem CID 142308895) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Name(6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride
PubChem CID142308895
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name(6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride
SMILESC/C1=C/C(C)=C/CC/N=C/N1.CC.Cl.[H][H]
InChIInChI=1S/C9H14N2.C2H6.ClH.H2/c1-8-4-3-5-10-7-11-9(2)6-8;1-2;;/h4,6-7H,3,5H2,1-2H3,(H,10,11);1-2H3;2*1H/b8-4+,9-6-;;;
InChIKeyIXUHYVQKIBGBLE-NXSGWXHRSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride?
The IUPAC name of (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride (CID 142308895) is (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride.
What is the SMILES notation for (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride?
The canonical SMILES for (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride is C/C1=C/C(C)=C/CC/N=C/N1.CC.Cl.[H][H].
What is the InChIKey of (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride?
The InChIKey is IXUHYVQKIBGBLE-NXSGWXHRSA-N. The full InChI is InChI=1S/C9H14N2.C2H6.ClH.H2/c1-8-4-3-5-10-7-11-9(2)6-8;1-2;;/h4,6-7H,3,5H2,1-2H3,(H,10,11);1-2H3;2*1H/b8-4+,9-6-;;;.
What are the key properties of (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride?
(6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-7,9-dimethyl-4,5-dihydro-1H-1,3-diazonine;ethane;molecular hydrogen;hydrochloride is sourced from PubChem (CID 142308895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).