N-propyl-3H-pyridin-4-imine

C8H12N2 — CID 20520388

IUPACN-propyl-3H-pyridin-4-imine
SMILESCCC/N=C1\C=CN=CC1
InChIInChI=1S/C8H12N2/c1-2-5-10-8-3-6-9-7-4-8/h3,6-7H,2,4-5H2,1H3/b10-8+
InChIKeyVEMRLQGEXSHECA-CSKARUKUSA-N
MW136.20 g/mol
LogP1.83
Rot. Bonds2

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

N-propyl-3H-pyridin-4-imine (PubChem CID 20520388) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-propyl-3H-pyridin-4-imine.

Molecular Properties

Compound NameN-propyl-3H-pyridin-4-imine
PubChem CID20520388
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-propyl-3H-pyridin-4-imine
SMILESCCC/N=C1\C=CN=CC1
InChIInChI=1S/C8H12N2/c1-2-5-10-8-3-6-9-7-4-8/h3,6-7H,2,4-5H2,1H3/b10-8+
InChIKeyVEMRLQGEXSHECA-CSKARUKUSA-N
XLogP1.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
4-Azanonatriene
CID 129782426
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
2H-Imidazo[4,5-C]pyridine
CID 20072783
N-methyl-3H-pyridin-4-imine
CID 20520378
4-diazo-3H-pyridine
CID 53668419
3,4-Dihydropyridine;ethane
CID 53729493
2-butyl-2H-imidazo[4,5-c]pyridine
CID 57234190
N-methyl-4H-pyridin-3-imine
CID 67496115
N-butyl-4H-pyridin-3-imine
CID 67808449
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744

Frequently Asked Questions

What is the IUPAC name of N-propyl-3H-pyridin-4-imine?
The IUPAC name of N-propyl-3H-pyridin-4-imine (CID 20520388) is N-propyl-3H-pyridin-4-imine.
What is the SMILES notation for N-propyl-3H-pyridin-4-imine?
The canonical SMILES for N-propyl-3H-pyridin-4-imine is CCC/N=C1\C=CN=CC1.
What is the InChIKey of N-propyl-3H-pyridin-4-imine?
The InChIKey is VEMRLQGEXSHECA-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-5-10-8-3-6-9-7-4-8/h3,6-7H,2,4-5H2,1H3/b10-8+.
What are the key properties of N-propyl-3H-pyridin-4-imine?
N-propyl-3H-pyridin-4-imine has a molecular weight of 136.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3H-pyridin-4-imine is sourced from PubChem (CID 20520388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).