1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine

C15H23N — CID 64984207

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)C1Cc2ccccc21
InChIInChI=1S/C15H23N/c1-3-5-10-15(16-4-2)14-11-12-8-6-7-9-13(12)14/h6-9,14-16H,3-5,10-11H2,1-2H3
InChIKeyWQWZSKGUYYVPQU-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds6

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine (PubChem CID 64984207) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
PubChem CID64984207
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)C1Cc2ccccc21
InChIInChI=1S/C15H23N/c1-3-5-10-15(16-4-2)14-11-12-8-6-7-9-13(12)14/h6-9,14-16H,3-5,10-11H2,1-2H3
InChIKeyWQWZSKGUYYVPQU-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine (CID 64984207) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine is CCCCC(NCC)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine?
The InChIKey is WQWZSKGUYYVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-5-10-15(16-4-2)14-11-12-8-6-7-9-13(12)14/h6-9,14-16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 64984207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).