2-cycloheptyl-2,5-dihydropyridine

C12H19N — CID 54266406

IUPAC2-cycloheptyl-2,5-dihydropyridine
SMILESC1=CC(C2CCCCCC2)N=CC1
InChIInChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h5,9-12H,1-4,6-8H2
InChIKeyDTQRIOLJNCQOHB-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.36
Rot. Bonds1

About 2-cycloheptyl-2,5-dihydropyridine

2-cycloheptyl-2,5-dihydropyridine (PubChem CID 54266406) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-cycloheptyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-cycloheptyl-2,5-dihydropyridine
PubChem CID54266406
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-cycloheptyl-2,5-dihydropyridine
SMILESC1=CC(C2CCCCCC2)N=CC1
InChIInChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h5,9-12H,1-4,6-8H2
InChIKeyDTQRIOLJNCQOHB-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cycloheptyl-2,5-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
4-Azatricyclo[5.3.2.02,6]dodeca-3,11-diene
CID 23045649
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
2-Cyclopentyl-2,5-dihydropyridine
CID 53805936
2,6-Di(cycloheptyl)-2,5-dihydropyridine
CID 53917931
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
2-Cyclooctyl-2,5-dihydropyridine
CID 54424070
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2,5-dihydropyridine?
The IUPAC name of 2-cycloheptyl-2,5-dihydropyridine (CID 54266406) is 2-cycloheptyl-2,5-dihydropyridine.
What is the SMILES notation for 2-cycloheptyl-2,5-dihydropyridine?
The canonical SMILES for 2-cycloheptyl-2,5-dihydropyridine is C1=CC(C2CCCCCC2)N=CC1.
What is the InChIKey of 2-cycloheptyl-2,5-dihydropyridine?
The InChIKey is DTQRIOLJNCQOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h5,9-12H,1-4,6-8H2.
What are the key properties of 2-cycloheptyl-2,5-dihydropyridine?
2-cycloheptyl-2,5-dihydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2,5-dihydropyridine is sourced from PubChem (CID 54266406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).