N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine

C16H23N — CID 62633000

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
SMILESCC(NCC1Cc2ccccc21)C1CCCC1
InChIInChI=1S/C16H23N/c1-12(13-6-2-3-7-13)17-11-15-10-14-8-4-5-9-16(14)15/h4-5,8-9,12-13,15,17H,2-3,6-7,10-11H2,1H3
InChIKeyFAFCJMSBDUPSAF-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.49
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine (PubChem CID 62633000) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
PubChem CID62633000
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
SMILESCC(NCC1Cc2ccccc21)C1CCCC1
InChIInChI=1S/C16H23N/c1-12(13-6-2-3-7-13)17-11-15-10-14-8-4-5-9-16(14)15/h4-5,8-9,12-13,15,17H,2-3,6-7,10-11H2,1H3
InChIKeyFAFCJMSBDUPSAF-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,3-dimethylbutan-2-amine
CID 115716884
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-chloro-3-methylbutan-2-amine
CID 79251207
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 54921834
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-pentan-3-ylpropanamide
CID 66396391
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,4,4-trifluorobutan-2-amine
CID 103781417
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60816005
(2R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propan-2-ol
CID 106932270
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-1-phenylbutan-1-amine
CID 60817589

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine (CID 62633000) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine is CC(NCC1Cc2ccccc21)C1CCCC1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine?
The InChIKey is FAFCJMSBDUPSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(13-6-2-3-7-13)17-11-15-10-14-8-4-5-9-16(14)15/h4-5,8-9,12-13,15,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.49, 4 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-trienylmethyl)-1-cyclopentylethanamine is sourced from PubChem (CID 62633000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).