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

C15H22N4 — CID 115489529

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC3CCCCC32)cn1
InChIInChI=1S/C15H22N4/c16-15(17)13-8-7-12(10-18-13)19-9-3-5-11-4-1-2-6-14(11)19/h7-8,10-11,14H,1-6,9H2,(H3,16,17)
InChIKeySQJADSIHAXFHPQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.52
Rot. Bonds2

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

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide (PubChem CID 115489529) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
PubChem CID115489529
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC3CCCCC32)cn1
InChIInChI=1S/C15H22N4/c16-15(17)13-8-7-12(10-18-13)19-9-3-5-11-4-1-2-6-14(11)19/h7-8,10-11,14H,1-6,9H2,(H3,16,17)
InChIKeySQJADSIHAXFHPQ-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'}

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-one
CID 115938932
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940385
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide
CID 102726609
5-(8-azaspiro[4.5]decan-8-yl)pyridine-2-carboximidamide
CID 115489654
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
CID 83132541
(1R)-1-[5-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132239
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 106836148
5-morpholin-4-ylpyridine-2-carboximidamide
CID 115489462
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
CID 63880669
5-cyclohexylpyridine-2-carboximidamide;hydrochloride
CID 53485023
5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 113321263

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide (CID 115489529) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N2CCCC3CCCCC32)cn1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
The InChIKey is SQJADSIHAXFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-15(17)13-8-7-12(10-18-13)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 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide?
5-(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 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 115489529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).