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

C13H24N2 — CID 43223906

IUPAC1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CC2CC=CC21
InChIInChI=1S/C13H24N2/c1-13(2,15(3)4)9-14-12-8-10-6-5-7-11(10)12/h5,7,10-12,14H,6,8-9H2,1-4H3
InChIKeyJWZBFLXBFNHWLH-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.88
Rot. Bonds4

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

1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43223906) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43223906
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CC2CC=CC21
InChIInChI=1S/C13H24N2/c1-13(2,15(3)4)9-14-12-8-10-6-5-7-11(10)12/h5,7,10-12,14H,6,8-9H2,1-4H3
InChIKeyJWZBFLXBFNHWLH-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
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-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43223906) is 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNC1CC2CC=CC21.
What is the InChIKey of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is JWZBFLXBFNHWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(2,15(3)4)9-14-12-8-10-6-5-7-11(10)12/h5,7,10-12,14H,6,8-9H2,1-4H3.
What are the key properties of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43223906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).