N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine

C12H13N3 — CID 159110850

IUPACN-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
SMILESCN(C)N=Cc1cccc2cccnc12
InChIInChI=1S/C12H13N3/c1-15(2)14-9-11-6-3-5-10-7-4-8-13-12(10)11/h3-9H,1-2H3
InChIKeyIJRCELULTXKVDK-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.13
Rot. Bonds2

About N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine

N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine (PubChem CID 159110850) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine.

Molecular Properties

Compound NameN-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
PubChem CID159110850
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
SMILESCN(C)N=Cc1cccc2cccnc12
InChIInChI=1S/C12H13N3/c1-15(2)14-9-11-6-3-5-10-7-4-8-13-12(10)11/h3-9H,1-2H3
InChIKeyIJRCELULTXKVDK-UHFFFAOYSA-N
XLogP2.13
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,10-phenanthroline;samarium
CID 174616745
N-(quinolin-8-ylmethylideneamino)aniline
CID 169381691
N-(2,4-dimethylphenyl)-1-quinolin-8-ylmethanimine
CID 10635102
3-quinolin-8-ylprop-2-enal
CID 73158990
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 59801174
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine?
The IUPAC name of N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine (CID 159110850) is N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine.
What is the SMILES notation for N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine?
The canonical SMILES for N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine is CN(C)N=Cc1cccc2cccnc12.
What is the InChIKey of N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine?
The InChIKey is IJRCELULTXKVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-15(2)14-9-11-6-3-5-10-7-4-8-13-12(10)11/h3-9H,1-2H3.
What are the key properties of N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine?
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine has a molecular weight of 199.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine is sourced from PubChem (CID 159110850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).