N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine

C11H18N2 — CID 57242536

IUPACN-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine
SMILESC1=NC/C(=N\C2CCCCC2)CC1
InChIInChI=1S/C11H18N2/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h8,10H,1-7,9H2/b13-11-
InChIKeyZIPCSIMOQJLFBM-QBFSEMIESA-N
MW178.28 g/mol
LogP2.62
Rot. Bonds1

About N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine

N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine (PubChem CID 57242536) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine.

Molecular Properties

Compound NameN-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine
PubChem CID57242536
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine
SMILESC1=NC/C(=N\C2CCCCC2)CC1
InChIInChI=1S/C11H18N2/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h8,10H,1-7,9H2/b13-11-
InChIKeyZIPCSIMOQJLFBM-QBFSEMIESA-N
XLogP2.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine?
The IUPAC name of N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine (CID 57242536) is N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine.
What is the SMILES notation for N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine?
The canonical SMILES for N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine is C1=NC/C(=N\C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine?
The InChIKey is ZIPCSIMOQJLFBM-QBFSEMIESA-N. The full InChI is InChI=1S/C11H18N2/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h8,10H,1-7,9H2/b13-11-.
What are the key properties of N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine?
N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine has a molecular weight of 178.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5-dihydro-2H-pyridin-3-imine is sourced from PubChem (CID 57242536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).