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

C16H24N4 — CID 63880669

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCCC3CCCCC32)ccn1
InChIInChI=1S/C16H24N4/c17-16(18)14-10-12(7-8-19-14)11-20-9-3-5-13-4-1-2-6-15(13)20/h7-8,10,13,15H,1-6,9,11H2,(H3,17,18)
InChIKeyFGMXQVIEZNSHGL-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.52
Rot. Bonds3

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

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide (PubChem CID 63880669) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
PubChem CID63880669
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCCC3CCCCC32)ccn1
InChIInChI=1S/C16H24N4/c17-16(18)14-10-12(7-8-19-14)11-20-9-3-5-13-4-1-2-6-15(13)20/h7-8,10,13,15H,1-6,9,11H2,(H3,17,18)
InChIKeyFGMXQVIEZNSHGL-UHFFFAOYSA-N
XLogP2.52
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide (CID 63880669) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CCCC3CCCCC32)ccn1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide?
The InChIKey is FGMXQVIEZNSHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c17-16(18)14-10-12(7-8-19-14)11-20-9-3-5-13-4-1-2-6-15(13)20/h7-8,10,13,15H,1-6,9,11H2,(H3,17,18).
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide has a molecular weight of 272.40 g/mol, XLogP of 2.52, 3 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-ylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 63880669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).