1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine

C15H20N4 — CID 171378066

IUPAC1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine
SMILESC1=CCN(/C=N/CCC/N=C/N2C=CC=CC2)C=C1
InChIInChI=1S/C15H20N4/c1-3-10-18(11-4-1)14-16-8-7-9-17-15-19-12-5-2-6-13-19/h1-6,10,12,14-15H,7-9,11,13H2/b16-14+,17-15+
InChIKeyYQVCBEXMIDSXKH-YXLFCKQPSA-N
MW256.35 g/mol
LogP2.20
Rot. Bonds6

About 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine

1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine (PubChem CID 171378066) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine.

Molecular Properties

Compound Name1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine
PubChem CID171378066
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine
SMILESC1=CCN(/C=N/CCC/N=C/N2C=CC=CC2)C=C1
InChIInChI=1S/C15H20N4/c1-3-10-18(11-4-1)14-16-8-7-9-17-15-19-12-5-2-6-13-19/h1-6,10,12,14-15H,7-9,11,13H2/b16-14+,17-15+
InChIKeyYQVCBEXMIDSXKH-YXLFCKQPSA-N
XLogP2.20
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine with MolForge

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Related Compounds

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CID 71346883
8H-pyrido[1,2-c]pyrimidine
CID 22560221
N-butyl-1-(2H-pyridin-1-yl)methanimine
CID 67807854
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883
dimethyl(2H-pyridin-1-ylmethylidene)azanium
CID 90694780
Pyrido[1,2-c][1,3]diazepine
CID 117656110
N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
CID 123279872
ethane;N-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N'-methylmethanimidamide
CID 141974091
ethane;N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 143900045
N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 167243092
N-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N'-methylmethanimidamide
CID 141974092

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine?
The IUPAC name of 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine (CID 171378066) is 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine.
What is the SMILES notation for 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine?
The canonical SMILES for 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine is C1=CCN(/C=N/CCC/N=C/N2C=CC=CC2)C=C1.
What is the InChIKey of 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine?
The InChIKey is YQVCBEXMIDSXKH-YXLFCKQPSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-10-18(11-4-1)14-16-8-7-9-17-15-19-12-5-2-6-13-19/h1-6,10,12,14-15H,7-9,11,13H2/b16-14+,17-15+.
What are the key properties of 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine?
1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine has a molecular weight of 256.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyridin-1-yl)-N-[3-(2H-pyridin-1-ylmethylideneamino)propyl]methanimine is sourced from PubChem (CID 171378066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).