N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine

C19H29N — CID 64984610

IUPACN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCC(CC)C1)C1Cc2ccccc21
InChIInChI=1S/C19H29N/c1-3-14-8-7-10-16(12-14)19(20-4-2)18-13-15-9-5-6-11-17(15)18/h5-6,9,11,14,16,18-20H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyNUUYCCQTZHIQPL-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.52
Rot. Bonds5

About N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine (PubChem CID 64984610) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine
PubChem CID64984610
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCC(CC)C1)C1Cc2ccccc21
InChIInChI=1S/C19H29N/c1-3-14-8-7-10-16(12-14)19(20-4-2)18-13-15-9-5-6-11-17(15)18/h5-6,9,11,14,16,18-20H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyNUUYCCQTZHIQPL-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64984309
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105224673
2,3-dihydro-1H-inden-1-yl-(3-ethylcyclohexyl)methanamine
CID 65406297
N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992333
[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine
CID 105313707
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 64984307
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105156124
2-cyclopentyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418635
2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
CID 107308723
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
CID 64984186

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine (CID 64984610) is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine is CCNC(C1CCCC(CC)C1)C1Cc2ccccc21.
What is the InChIKey of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is NUUYCCQTZHIQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-14-8-7-10-16(12-14)19(20-4-2)18-13-15-9-5-6-11-17(15)18/h5-6,9,11,14,16,18-20H,3-4,7-8,10,12-13H2,1-2H3.
What are the key properties of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine?
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 64984610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).