1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane

C12H24N2 — CID 123890794

IUPAC1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane
SMILESCC=C(C)CC1(C)CNCCN(C)C1
InChIInChI=1S/C12H24N2/c1-5-11(2)8-12(3)9-13-6-7-14(4)10-12/h5,13H,6-10H2,1-4H3
InChIKeyWRXWNVGGMZVACB-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds2

About 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane

1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane (PubChem CID 123890794) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane.

Molecular Properties

Compound Name1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane
PubChem CID123890794
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane
SMILESCC=C(C)CC1(C)CNCCN(C)C1
InChIInChI=1S/C12H24N2/c1-5-11(2)8-12(3)9-13-6-7-14(4)10-12/h5,13H,6-10H2,1-4H3
InChIKeyWRXWNVGGMZVACB-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
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 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane?
The IUPAC name of 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane (CID 123890794) is 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane.
What is the SMILES notation for 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane?
The canonical SMILES for 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane is CC=C(C)CC1(C)CNCCN(C)C1.
What is the InChIKey of 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane?
The InChIKey is WRXWNVGGMZVACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-11(2)8-12(3)9-13-6-7-14(4)10-12/h5,13H,6-10H2,1-4H3.
What are the key properties of 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane?
1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6-(2-methylbut-2-enyl)-1,4-diazepane is sourced from PubChem (CID 123890794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).