(7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine

C9H16N2 — CID 89442371

IUPAC(7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine
SMILESCC1/C=C\CCCN(C)/C=N\1
InChIInChI=1S/C9H16N2/c1-9-6-4-3-5-7-11(2)8-10-9/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-,10-8-
InChIKeyCWAFOJZAEGZDGC-GKXDXITGSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds

About (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine

(7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine (PubChem CID 89442371) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine.

Molecular Properties

Compound Name(7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine
PubChem CID89442371
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine
SMILESCC1/C=C\CCCN(C)/C=N\1
InChIInChI=1S/C9H16N2/c1-9-6-4-3-5-7-11(2)8-10-9/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-,10-8-
InChIKeyCWAFOJZAEGZDGC-GKXDXITGSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine?
The IUPAC name of (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine (CID 89442371) is (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine.
What is the SMILES notation for (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine?
The canonical SMILES for (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine is CC1/C=C\CCCN(C)/C=N\1.
What is the InChIKey of (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine?
The InChIKey is CWAFOJZAEGZDGC-GKXDXITGSA-N. The full InChI is InChI=1S/C9H16N2/c1-9-6-4-3-5-7-11(2)8-10-9/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-,10-8-.
What are the key properties of (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine?
(7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3,9-dimethyl-4,5,6,9-tetrahydro-1,3-diazonine is sourced from PubChem (CID 89442371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).