2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine

C19H29N — CID 105003535

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
SMILESCCNC(CC1Cc2ccccc21)C1(CC)CCCC1
InChIInChI=1S/C19H29N/c1-3-19(11-7-8-12-19)18(20-4-2)14-16-13-15-9-5-6-10-17(15)16/h5-6,9-10,16,18,20H,3-4,7-8,11-14H2,1-2H3
InChIKeyVCWLBQFQIJEIAW-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.66
Rot. Bonds6

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine (PubChem CID 105003535) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
PubChem CID105003535
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
SMILESCCNC(CC1Cc2ccccc21)C1(CC)CCCC1
InChIInChI=1S/C19H29N/c1-3-19(11-7-8-12-19)18(20-4-2)14-16-13-15-9-5-6-10-17(15)16/h5-6,9-10,16,18,20H,3-4,7-8,11-14H2,1-2H3
InChIKeyVCWLBQFQIJEIAW-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197333
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 66418997
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105003444
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N,3-diethyl-3-methoxypentan-2-amine
CID 116761230
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4,6,6-trimethylheptan-2-amine
CID 105003611
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105003539
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765713
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-bromo-6-fluorophenyl)-N-ethylethanamine
CID 114887289
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 115823821
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-(thian-4-yl)propan-2-amine
CID 105162885
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79067021
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 105003367

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine (CID 105003535) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine is CCNC(CC1Cc2ccccc21)C1(CC)CCCC1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The InChIKey is VCWLBQFQIJEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-19(11-7-8-12-19)18(20-4-2)14-16-13-15-9-5-6-10-17(15)16/h5-6,9-10,16,18,20H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 105003535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).