1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate

C22H24N2O — CID 163644776

IUPAC1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate
SMILESC(=N/C1CCCc2ccccc21)\O/C=N/C1CCCc2ccccc21
InChIInChI=1S/C22H24N2O/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-25-16-24-22-14-6-10-18-8-2-4-12-20(18)22/h1-4,7-8,11-12,15-16,21-22H,5-6,9-10,13-14H2/b23-15+,24-16+
InChIKeyIHHYWKHAIABDMI-DFEHQXHXSA-N
MW332.45 g/mol
LogP5.21
Rot. Bonds4

About 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate

1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate (PubChem CID 163644776) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate
PubChem CID163644776
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate
SMILESC(=N/C1CCCc2ccccc21)\O/C=N/C1CCCc2ccccc21
InChIInChI=1S/C22H24N2O/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-25-16-24-22-14-6-10-18-8-2-4-12-20(18)22/h1-4,7-8,11-12,15-16,21-22H,5-6,9-10,13-14H2/b23-15+,24-16+
InChIKeyIHHYWKHAIABDMI-DFEHQXHXSA-N
XLogP5.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine
CID 102110505
CID 167645226
CID 167645226
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 18751587
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-amino-3-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 116513428
1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
CID 23542290
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate (CID 163644776) is 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate is C(=N/C1CCCc2ccccc21)\O/C=N/C1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate?
The InChIKey is IHHYWKHAIABDMI-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H24N2O/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-25-16-24-22-14-6-10-18-8-2-4-12-20(18)22/h1-4,7-8,11-12,15-16,21-22H,5-6,9-10,13-14H2/b23-15+,24-16+.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate?
1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate has a molecular weight of 332.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate is sourced from PubChem (CID 163644776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).