bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine

C10H15N — CID 67454574

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine
SMILESCCN(C)C.c1cc2cc-2c1
InChIInChI=1S/C6H4.C4H11N/c1-2-5-4-6(5)3-1;1-4-5(2)3/h1-4H;4H2,1-3H3
InChIKeyVUJSLGVUUQVDKH-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.23
Rot. Bonds1

About bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine

bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine (PubChem CID 67454574) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine
PubChem CID67454574
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine
SMILESCCN(C)C.c1cc2cc-2c1
InChIInChI=1S/C6H4.C4H11N/c1-2-5-4-6(5)3-1;1-4-5(2)3/h1-4H;4H2,1-3H3
InChIKeyVUJSLGVUUQVDKH-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine (CID 67454574) is bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine is CCN(C)C.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine?
The InChIKey is VUJSLGVUUQVDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C4H11N/c1-2-5-4-6(5)3-1;1-4-5(2)3/h1-4H;4H2,1-3H3.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine?
bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine has a molecular weight of 149.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine is sourced from PubChem (CID 67454574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).