2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine

C9H14N2 — CID 175018575

IUPAC2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine
SMILESCCN(C)C.c1cc2ncc1-2
InChIInChI=1S/C5H3N.C4H11N/c1-2-5-4(1)3-6-5;1-4-5(2)3/h1-3H;4H2,1-3H3
InChIKeyHKUJNVDXXVZTSR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.63
Rot. Bonds1

About 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine

2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine (PubChem CID 175018575) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine.

Molecular Properties

Compound Name2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine
PubChem CID175018575
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine
SMILESCCN(C)C.c1cc2ncc1-2
InChIInChI=1S/C5H3N.C4H11N/c1-2-5-4(1)3-6-5;1-4-5(2)3/h1-3H;4H2,1-3H3
InChIKeyHKUJNVDXXVZTSR-UHFFFAOYSA-N
XLogP1.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine?
The IUPAC name of 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine (CID 175018575) is 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine.
What is the SMILES notation for 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine?
The canonical SMILES for 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine is CCN(C)C.c1cc2ncc1-2.
What is the InChIKey of 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine?
The InChIKey is HKUJNVDXXVZTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N.C4H11N/c1-2-5-4(1)3-6-5;1-4-5(2)3/h1-3H;4H2,1-3H3.
What are the key properties of 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine?
2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine has a molecular weight of 150.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylethanamine is sourced from PubChem (CID 175018575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).