4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide

C15H22N4 — CID 62926493

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC3CCCCC32)ccn1
InChIInChI=1S/C15H22N4/c16-15(17)13-10-12(7-8-18-13)19-9-3-5-11-4-1-2-6-14(11)19/h7-8,10-11,14H,1-6,9H2,(H3,16,17)
InChIKeyLDUKTHMDJHKCPO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.52
Rot. Bonds2

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide (PubChem CID 62926493) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
PubChem CID62926493
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC3CCCCC32)ccn1
InChIInChI=1S/C15H22N4/c16-15(17)13-10-12(7-8-18-13)19-9-3-5-11-4-1-2-6-14(11)19/h7-8,10-11,14H,1-6,9H2,(H3,16,17)
InChIKeyLDUKTHMDJHKCPO-UHFFFAOYSA-N
XLogP2.52
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide (CID 62926493) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCCC3CCCCC32)ccn1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
The InChIKey is LDUKTHMDJHKCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-15(17)13-10-12(7-8-18-13)19-9-3-5-11-4-1-2-6-14(11)19/h7-8,10-11,14H,1-6,9H2,(H3,16,17).
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide has a molecular weight of 258.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 62926493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).