N-butyl-4H-pyridin-3-imine

C9H14N2 — CID 67808449

IUPACN-butyl-4H-pyridin-3-imine
SMILESCCCC/N=C1/C=NC=CC1
InChIInChI=1S/C9H14N2/c1-2-3-7-11-9-5-4-6-10-8-9/h4,6,8H,2-3,5,7H2,1H3/b11-9+
InChIKeyHGWMKICQKRWRGM-PKNBQFBNSA-N
MW150.22 g/mol
LogP2.22
Rot. Bonds3

About N-butyl-4H-pyridin-3-imine

N-butyl-4H-pyridin-3-imine (PubChem CID 67808449) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-butyl-4H-pyridin-3-imine.

Molecular Properties

Compound NameN-butyl-4H-pyridin-3-imine
PubChem CID67808449
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-butyl-4H-pyridin-3-imine
SMILESCCCC/N=C1/C=NC=CC1
InChIInChI=1S/C9H14N2/c1-2-3-7-11-9-5-4-6-10-8-9/h4,6,8H,2-3,5,7H2,1H3/b11-9+
InChIKeyHGWMKICQKRWRGM-PKNBQFBNSA-N
XLogP2.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.22
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4H-pyridin-3-imine?
The IUPAC name of N-butyl-4H-pyridin-3-imine (CID 67808449) is N-butyl-4H-pyridin-3-imine.
What is the SMILES notation for N-butyl-4H-pyridin-3-imine?
The canonical SMILES for N-butyl-4H-pyridin-3-imine is CCCC/N=C1/C=NC=CC1.
What is the InChIKey of N-butyl-4H-pyridin-3-imine?
The InChIKey is HGWMKICQKRWRGM-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-7-11-9-5-4-6-10-8-9/h4,6,8H,2-3,5,7H2,1H3/b11-9+.
What are the key properties of N-butyl-4H-pyridin-3-imine?
N-butyl-4H-pyridin-3-imine has a molecular weight of 150.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4H-pyridin-3-imine is sourced from PubChem (CID 67808449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).