N-anthracen-2-yl-2-methylpropan-1-imine

C18H17N — CID 23369259

IUPACN-anthracen-2-yl-2-methylpropan-1-imine
SMILESCC(C)/C=N/c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H17N/c1-13(2)12-19-18-8-7-16-9-14-5-3-4-6-15(14)10-17(16)11-18/h3-13H,1-2H3/b19-12+
InChIKeyYXUVKRNTHAPTLS-XDHOZWIPSA-N
MW247.34 g/mol
LogP5.35
Rot. Bonds2

About N-anthracen-2-yl-2-methylpropan-1-imine

N-anthracen-2-yl-2-methylpropan-1-imine (PubChem CID 23369259) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N-anthracen-2-yl-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-anthracen-2-yl-2-methylpropan-1-imine
PubChem CID23369259
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN-anthracen-2-yl-2-methylpropan-1-imine
SMILESCC(C)/C=N/c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H17N/c1-13(2)12-19-18-8-7-16-9-14-5-3-4-6-15(14)10-17(16)11-18/h3-13H,1-2H3/b19-12+
InChIKeyYXUVKRNTHAPTLS-XDHOZWIPSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.34
LogP ≤ 55.35
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

anthracene;2-methylpropane
CID 142471530
2-isocyanatoanthracene
CID 3014959
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417
ethane;pentacene
CID 91470616
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
2-propan-2-ylpentacene
CID 153380535
2-naphthalen-2-yliminoacetic acid
CID 154177451
N-anthracen-2-yl-1-(2-diphenylboranylphenyl)methanimine
CID 102027059
gold;pentacene
CID 162013118
N-(anthracen-9-ylmethyl)-2-methylpropan-1-imine
CID 177499158
(E)-4-hydroxy-3-(naphthalen-2-yliminomethyl)pent-3-en-2-one
CID 137203178
2-(2-methylpropylideneamino)benzenethiol
CID 142295893

Frequently Asked Questions

What is the IUPAC name of N-anthracen-2-yl-2-methylpropan-1-imine?
The IUPAC name of N-anthracen-2-yl-2-methylpropan-1-imine (CID 23369259) is N-anthracen-2-yl-2-methylpropan-1-imine.
What is the SMILES notation for N-anthracen-2-yl-2-methylpropan-1-imine?
The canonical SMILES for N-anthracen-2-yl-2-methylpropan-1-imine is CC(C)/C=N/c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of N-anthracen-2-yl-2-methylpropan-1-imine?
The InChIKey is YXUVKRNTHAPTLS-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N/c1-13(2)12-19-18-8-7-16-9-14-5-3-4-6-15(14)10-17(16)11-18/h3-13H,1-2H3/b19-12+.
What are the key properties of N-anthracen-2-yl-2-methylpropan-1-imine?
N-anthracen-2-yl-2-methylpropan-1-imine has a molecular weight of 247.34 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-2-yl-2-methylpropan-1-imine is sourced from PubChem (CID 23369259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).