N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine

C9H13N3 — CID 101461429

IUPACN-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
SMILESCNCC/N=C/c1ccccn1
InChIInChI=1S/C9H13N3/c1-10-6-7-11-8-9-4-2-3-5-12-9/h2-5,8,10H,6-7H2,1H3/b11-8+
InChIKeyGTWQEUXWWPXYPJ-DHZHZOJOSA-N
MW163.22 g/mol
LogP0.72
Rot. Bonds4

About N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine

N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine (PubChem CID 101461429) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
PubChem CID101461429
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
SMILESCNCC/N=C/c1ccccn1
InChIInChI=1S/C9H13N3/c1-10-6-7-11-8-9-4-2-3-5-12-9/h2-5,8,10H,6-7H2,1H3/b11-8+
InChIKeyGTWQEUXWWPXYPJ-DHZHZOJOSA-N
XLogP0.72
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
CID 6442081
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
dichloropalladium;N-dodecyl-1-pyridin-2-ylmethanimine
CID 11190208
2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol
CID 71362573
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
CID 139068771
1,1'-biphenyl;carbanide;cobalt;N-(2-phosphanylethyl)-1-pyridin-2-ylmethanimine
CID 158437244
N',N'-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethane-1,2-diamine
CID 135011278
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
CID 139071417
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine?
The IUPAC name of N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine (CID 101461429) is N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine.
What is the SMILES notation for N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine?
The canonical SMILES for N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine is CNCC/N=C/c1ccccn1.
What is the InChIKey of N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine?
The InChIKey is GTWQEUXWWPXYPJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H13N3/c1-10-6-7-11-8-9-4-2-3-5-12-9/h2-5,8,10H,6-7H2,1H3/b11-8+.
What are the key properties of N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine?
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine is sourced from PubChem (CID 101461429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).