4-pyridin-2-ylbutan-1-imine

C9H12N2 — CID 91482132

IUPAC4-pyridin-2-ylbutan-1-imine
SMILES[H]/N=C/CCCc1ccccn1
InChIInChI=1S/C9H12N2/c10-7-3-1-5-9-6-2-4-8-11-9/h2,4,6-8,10H,1,3,5H2/b10-7+
InChIKeyDCQNLRIZWQTICH-JXMROGBWSA-N
MW148.21 g/mol
LogP2.05
Rot. Bonds4

About 4-pyridin-2-ylbutan-1-imine

4-pyridin-2-ylbutan-1-imine (PubChem CID 91482132) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-pyridin-2-ylbutan-1-imine.

Molecular Properties

Compound Name4-pyridin-2-ylbutan-1-imine
PubChem CID91482132
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-pyridin-2-ylbutan-1-imine
SMILES[H]/N=C/CCCc1ccccn1
InChIInChI=1S/C9H12N2/c10-7-3-1-5-9-6-2-4-8-11-9/h2,4,6-8,10H,1,3,5H2/b10-7+
InChIKeyDCQNLRIZWQTICH-JXMROGBWSA-N
XLogP2.05
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-hex-4-enylpyridine
CID 174507430
5-pyridin-2-ylpentanal
CID 13416615
2-oct-7-enylpyridine
CID 57031977
4-pyridin-2-ylbutylphosphane
CID 175102115
2-[(Z)-5-methoxyhex-4-enyl]pyridine
CID 14312400
2-(5-methyloct-4-enyl)pyridine
CID 123569284
2-undecylpyridine
CID 66882765
2-(7-phenylheptyl)pyridine
CID 54510986
9-pyridin-2-ylnonan-1-ol
CID 12680899
pyridin-2-ylmethyl methanimidothioate
CID 141244966
chromium;2-pentylpyridine;hydrochloride
CID 175220071

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylbutan-1-imine?
The IUPAC name of 4-pyridin-2-ylbutan-1-imine (CID 91482132) is 4-pyridin-2-ylbutan-1-imine.
What is the SMILES notation for 4-pyridin-2-ylbutan-1-imine?
The canonical SMILES for 4-pyridin-2-ylbutan-1-imine is [H]/N=C/CCCc1ccccn1.
What is the InChIKey of 4-pyridin-2-ylbutan-1-imine?
The InChIKey is DCQNLRIZWQTICH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12N2/c10-7-3-1-5-9-6-2-4-8-11-9/h2,4,6-8,10H,1,3,5H2/b10-7+.
What are the key properties of 4-pyridin-2-ylbutan-1-imine?
4-pyridin-2-ylbutan-1-imine has a molecular weight of 148.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylbutan-1-imine is sourced from PubChem (CID 91482132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).