2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine

C12H22N2 — CID 82939082

IUPAC2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC1CC2CC=CC21
InChIInChI=1S/C12H22N2/c1-9(8-14(2)3)13-12-7-10-5-4-6-11(10)12/h4,6,9-13H,5,7-8H2,1-3H3
InChIKeyWZOYEHGUFCEWRG-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.49
Rot. Bonds4

About 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82939082) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82939082
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC1CC2CC=CC21
InChIInChI=1S/C12H22N2/c1-9(8-14(2)3)13-12-7-10-5-4-6-11(10)12/h4,6,9-13H,5,7-8H2,1-3H3
InChIKeyWZOYEHGUFCEWRG-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.49
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 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82939082) is 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NC1CC2CC=CC21.
What is the InChIKey of 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WZOYEHGUFCEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(8-14(2)3)13-12-7-10-5-4-6-11(10)12/h4,6,9-13H,5,7-8H2,1-3H3.
What are the key properties of 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82939082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).