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

C20H33N — CID 64984494

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
SMILESCCCCCCCCCCC(NC)C1Cc2ccccc21
InChIInChI=1S/C20H33N/c1-3-4-5-6-7-8-9-10-15-20(21-2)19-16-17-13-11-12-14-18(17)19/h11-14,19-21H,3-10,15-16H2,1-2H3
InChIKeyWYUVAMJGCYBMKL-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.45
Rot. Bonds11

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

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine (PubChem CID 64984494) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
PubChem CID64984494
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
SMILESCCCCCCCCCCC(NC)C1Cc2ccccc21
InChIInChI=1S/C20H33N/c1-3-4-5-6-7-8-9-10-15-20(21-2)19-16-17-13-11-12-14-18(17)19/h11-14,19-21H,3-10,15-16H2,1-2H3
InChIKeyWYUVAMJGCYBMKL-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxy-N-methylethanamine
CID 79575110
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine
CID 66038287
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine
CID 65410933
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 65095919
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine (CID 64984494) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine is CCCCCCCCCCC(NC)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine?
The InChIKey is WYUVAMJGCYBMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-4-5-6-7-8-9-10-15-20(21-2)19-16-17-13-11-12-14-18(17)19/h11-14,19-21H,3-10,15-16H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.45, 11 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-methylundecan-1-amine is sourced from PubChem (CID 64984494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).