1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine

C10H15N — CID 156518695

IUPAC1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine
SMILESCCC1=C2C=C(C(C)N)CC21
InChIInChI=1S/C10H15N/c1-3-8-9-4-7(6(2)11)5-10(8)9/h4,6,10H,3,5,11H2,1-2H3
InChIKeyCLJYPTNEQPDWCG-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.00
Rot. Bonds2

About 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine

1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine (PubChem CID 156518695) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine.

Molecular Properties

Compound Name1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine
PubChem CID156518695
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine
SMILESCCC1=C2C=C(C(C)N)CC21
InChIInChI=1S/C10H15N/c1-3-8-9-4-7(6(2)11)5-10(8)9/h4,6,10H,3,5,11H2,1-2H3
InChIKeyCLJYPTNEQPDWCG-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine?
The IUPAC name of 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine (CID 156518695) is 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine.
What is the SMILES notation for 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine?
The canonical SMILES for 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine is CCC1=C2C=C(C(C)N)CC21.
What is the InChIKey of 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine?
The InChIKey is CLJYPTNEQPDWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-8-9-4-7(6(2)11)5-10(8)9/h4,6,10H,3,5,11H2,1-2H3.
What are the key properties of 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine?
1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine has a molecular weight of 149.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine is sourced from PubChem (CID 156518695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).