N-(ethylideneamino)-2-pyridin-4-ylethanimine

C9H11N3 — CID 151069423

IUPACN-(ethylideneamino)-2-pyridin-4-ylethanimine
SMILESCC=NN=CCc1ccncc1
InChIInChI=1S/C9H11N3/c1-2-11-12-8-5-9-3-6-10-7-4-9/h2-4,6-8H,5H2,1H3
InChIKeyMHVBFWBBUNZLPY-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.70
Rot. Bonds3

About N-(ethylideneamino)-2-pyridin-4-ylethanimine

N-(ethylideneamino)-2-pyridin-4-ylethanimine (PubChem CID 151069423) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-(ethylideneamino)-2-pyridin-4-ylethanimine.

Molecular Properties

Compound NameN-(ethylideneamino)-2-pyridin-4-ylethanimine
PubChem CID151069423
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-(ethylideneamino)-2-pyridin-4-ylethanimine
SMILESCC=NN=CCc1ccncc1
InChIInChI=1S/C9H11N3/c1-2-11-12-8-5-9-3-6-10-7-4-9/h2-4,6-8H,5H2,1H3
InChIKeyMHVBFWBBUNZLPY-UHFFFAOYSA-N
XLogP1.70
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of N-(ethylideneamino)-2-pyridin-4-ylethanimine?
The IUPAC name of N-(ethylideneamino)-2-pyridin-4-ylethanimine (CID 151069423) is N-(ethylideneamino)-2-pyridin-4-ylethanimine.
What is the SMILES notation for N-(ethylideneamino)-2-pyridin-4-ylethanimine?
The canonical SMILES for N-(ethylideneamino)-2-pyridin-4-ylethanimine is CC=NN=CCc1ccncc1.
What is the InChIKey of N-(ethylideneamino)-2-pyridin-4-ylethanimine?
The InChIKey is MHVBFWBBUNZLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-11-12-8-5-9-3-6-10-7-4-9/h2-4,6-8H,5H2,1H3.
What are the key properties of N-(ethylideneamino)-2-pyridin-4-ylethanimine?
N-(ethylideneamino)-2-pyridin-4-ylethanimine has a molecular weight of 161.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)-2-pyridin-4-ylethanimine is sourced from PubChem (CID 151069423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).