7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene

C13H20N2 — CID 139252731

IUPAC7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESC=CCC(C)(C)CC=C1C2CCC1N=N2
InChIInChI=1S/C13H20N2/c1-4-8-13(2,3)9-7-10-11-5-6-12(10)15-14-11/h4,7,11-12H,1,5-6,8-9H2,2-3H3
InChIKeyNYKLXTYQBFMMQS-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.90
Rot. Bonds4

About 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene

7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene (PubChem CID 139252731) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
PubChem CID139252731
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESC=CCC(C)(C)CC=C1C2CCC1N=N2
InChIInChI=1S/C13H20N2/c1-4-8-13(2,3)9-7-10-11-5-6-12(10)15-14-11/h4,7,11-12H,1,5-6,8-9H2,2-3H3
InChIKeyNYKLXTYQBFMMQS-UHFFFAOYSA-N
XLogP3.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.90
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 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene (CID 139252731) is 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene is C=CCC(C)(C)CC=C1C2CCC1N=N2.
What is the InChIKey of 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The InChIKey is NYKLXTYQBFMMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-8-13(2,3)9-7-10-11-5-6-12(10)15-14-11/h4,7,11-12H,1,5-6,8-9H2,2-3H3.
What are the key properties of 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene has a molecular weight of 204.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139252731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).