1-anthracen-9-yl-N-butylmethanimine

C19H19N — CID 71330803

IUPAC1-anthracen-9-yl-N-butylmethanimine
SMILESCCCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19N/c1-2-3-12-20-14-19-17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)19/h4-11,13-14H,2-3,12H2,1H3/b20-14+
InChIKeyMPLYQYNRHPFNNL-XSFVSMFZSA-N
MW261.37 g/mol
LogP5.21
Rot. Bonds4

About 1-anthracen-9-yl-N-butylmethanimine

1-anthracen-9-yl-N-butylmethanimine (PubChem CID 71330803) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-butylmethanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-butylmethanimine
PubChem CID71330803
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-anthracen-9-yl-N-butylmethanimine
SMILESCCCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19N/c1-2-3-12-20-14-19-17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)19/h4-11,13-14H,2-3,12H2,1H3/b20-14+
InChIKeyMPLYQYNRHPFNNL-XSFVSMFZSA-N
XLogP5.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-N-butylmethanimine?
The IUPAC name of 1-anthracen-9-yl-N-butylmethanimine (CID 71330803) is 1-anthracen-9-yl-N-butylmethanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-butylmethanimine?
The canonical SMILES for 1-anthracen-9-yl-N-butylmethanimine is CCCC/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-N-butylmethanimine?
The InChIKey is MPLYQYNRHPFNNL-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19N/c1-2-3-12-20-14-19-17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)19/h4-11,13-14H,2-3,12H2,1H3/b20-14+.
What are the key properties of 1-anthracen-9-yl-N-butylmethanimine?
1-anthracen-9-yl-N-butylmethanimine has a molecular weight of 261.37 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-butylmethanimine is sourced from PubChem (CID 71330803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).