1-anthracen-9-yl-N-ethylmethanimine

C17H15N — CID 101069422

IUPAC1-anthracen-9-yl-N-ethylmethanimine
SMILESCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15N/c1-2-18-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,2H2,1H3/b18-12+
InChIKeyJVZRIQRKQKGXMU-LDADJPATSA-N
MW233.31 g/mol
LogP4.43
Rot. Bonds2

About 1-anthracen-9-yl-N-ethylmethanimine

1-anthracen-9-yl-N-ethylmethanimine (PubChem CID 101069422) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-ethylmethanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-ethylmethanimine
PubChem CID101069422
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name1-anthracen-9-yl-N-ethylmethanimine
SMILESCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15N/c1-2-18-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,2H2,1H3/b18-12+
InChIKeyJVZRIQRKQKGXMU-LDADJPATSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(3,4-diphenylphenyl)methylidene]hydroxylamine
CID 11780703
2-Naphthaldehyde oxime
CID 9563142
9-Diazomethylanthracene
CID 3035201
2-(Phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
CID 44531578
2-(Phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
CID 44531837
2-(Phenanthren-2-ylmethylideneamino)guanidine;hydrochloride
CID 44531853
(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
CID 5354493
N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine
CID 361325
1-Naphthalenecarboxaldehyde, 2-(1-naphthalenylmethylene)hydrazone
CID 6861471
Benz[h]isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
CID 10561172
2,2-dimethyl-3-oxido-1H-benzo[f]isoquinolin-3-ium
CID 10775573
N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine
CID 23471426

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-N-ethylmethanimine?
The IUPAC name of 1-anthracen-9-yl-N-ethylmethanimine (CID 101069422) is 1-anthracen-9-yl-N-ethylmethanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-ethylmethanimine?
The canonical SMILES for 1-anthracen-9-yl-N-ethylmethanimine is CC/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-N-ethylmethanimine?
The InChIKey is JVZRIQRKQKGXMU-LDADJPATSA-N. The full InChI is InChI=1S/C17H15N/c1-2-18-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,2H2,1H3/b18-12+.
What are the key properties of 1-anthracen-9-yl-N-ethylmethanimine?
1-anthracen-9-yl-N-ethylmethanimine has a molecular weight of 233.31 g/mol, XLogP of 4.43, 2 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-ethylmethanimine is sourced from PubChem (CID 101069422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).