1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane

C13H24N2 — CID 170375583

IUPAC1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane
SMILESCC1C=CC(C)(N2CCCCCN2)CC1
InChIInChI=1S/C13H24N2/c1-12-6-8-13(2,9-7-12)15-11-5-3-4-10-14-15/h6,8,12,14H,3-5,7,9-11H2,1-2H3
InChIKeyYULISYGJIVMPJG-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.72
Rot. Bonds1

About 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane

1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane (PubChem CID 170375583) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane
PubChem CID170375583
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane
SMILESCC1C=CC(C)(N2CCCCCN2)CC1
InChIInChI=1S/C13H24N2/c1-12-6-8-13(2,9-7-12)15-11-5-3-4-10-14-15/h6,8,12,14H,3-5,7,9-11H2,1-2H3
InChIKeyYULISYGJIVMPJG-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.72
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-(1,4-dimethylcyclohex-2-en-1-yl)diazepane?
The IUPAC name of 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane (CID 170375583) is 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane.
What is the SMILES notation for 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane?
The canonical SMILES for 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane is CC1C=CC(C)(N2CCCCCN2)CC1.
What is the InChIKey of 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane?
The InChIKey is YULISYGJIVMPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12-6-8-13(2,9-7-12)15-11-5-3-4-10-14-15/h6,8,12,14H,3-5,7,9-11H2,1-2H3.
What are the key properties of 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane?
1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane has a molecular weight of 208.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohex-2-en-1-yl)diazepane is sourced from PubChem (CID 170375583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).