N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine

C19H19N — CID 177499158

IUPACN-(anthracen-9-ylmethyl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19N/c1-14(2)12-20-13-19-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)19/h3-12,14H,13H2,1-2H3/b20-12+
InChIKeyVTAWXOBVLDLKII-UDWIEESQSA-N
MW261.37 g/mol
LogP5.22
Rot. Bonds3

About N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine

N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine (PubChem CID 177499158) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-2-methylpropan-1-imine
PubChem CID177499158
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-(anthracen-9-ylmethyl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19N/c1-14(2)12-20-13-19-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)19/h3-12,14H,13H2,1-2H3/b20-12+
InChIKeyVTAWXOBVLDLKII-UDWIEESQSA-N
XLogP5.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.22
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

1-anthracen-9-ylpropan-2-ol
CID 19889136
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
9-(2-ethoxypropoxymethyl)anthracene
CID 89342158
2-(anthracen-9-ylmethyl)guanidine;hydrochloride
CID 24749470
9-propan-2-yloxyanthracene
CID 13287348
anthracen-9-ylmethyloxidanium
CID 143222944
N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
CID 50999583
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
1-(anthracen-9-ylmethyl)pyridin-1-ium iodide
CID 11795076
2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine
CID 23332476
9-(ethylsulfanylmethoxymethyl)anthracene
CID 101098326
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine?
The IUPAC name of N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine (CID 177499158) is N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine?
The canonical SMILES for N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine is CC(C)/C=N/Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine?
The InChIKey is VTAWXOBVLDLKII-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N/c1-14(2)12-20-13-19-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)19/h3-12,14H,13H2,1-2H3/b20-12+.
What are the key properties of N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine?
N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine has a molecular weight of 261.37 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine is sourced from PubChem (CID 177499158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).