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

C17H25N — CID 66418421

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)CC2Cc3ccccc32)C1
InChIInChI=1S/C17H25N/c1-12-5-4-7-14(9-12)17(18)11-15-10-13-6-2-3-8-16(13)15/h2-3,6,8,12,14-15,17H,4-5,7,9-11,18H2,1H3
InChIKeyOUQSHZRKCKHBQB-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.87
Rot. Bonds3

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

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 66418421) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID66418421
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)CC2Cc3ccccc32)C1
InChIInChI=1S/C17H25N/c1-12-5-4-7-14(9-12)17(18)11-15-10-13-6-2-3-8-16(13)15/h2-3,6,8,12,14-15,17H,4-5,7,9-11,18H2,1H3
InChIKeyOUQSHZRKCKHBQB-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclobutylethyl]hydrazine
CID 105224519
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105224673
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 66395638
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(thiolan-2-yl)ethanamine
CID 80621999
1-(2-bicyclo[2.2.1]heptanyl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanamine
CID 113383497
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
CID 55185670
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-2-amine
CID 103028488
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
CID 79413170
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
CID 62633000

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine (CID 66418421) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine is CC1CCCC(C(N)CC2Cc3ccccc32)C1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is OUQSHZRKCKHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-5-4-7-14(9-12)17(18)11-15-10-13-6-2-3-8-16(13)15/h2-3,6,8,12,14-15,17H,4-5,7,9-11,18H2,1H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 3.87, 3 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)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 66418421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).