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

C13H25N3 — CID 60914528

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCC2CCCCC21
InChIInChI=1S/C13H25N3/c1-10(9-13(14)15)16-8-4-6-11-5-2-3-7-12(11)16/h10-12H,2-9H2,1H3,(H3,14,15)
InChIKeyNLGYOPYYZBWUJA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.36
Rot. Bonds3

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

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide (PubChem CID 60914528) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide
PubChem CID60914528
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCC2CCCCC21
InChIInChI=1S/C13H25N3/c1-10(9-13(14)15)16-8-4-6-11-5-2-3-7-12(11)16/h10-12H,2-9H2,1H3,(H3,14,15)
InChIKeyNLGYOPYYZBWUJA-UHFFFAOYSA-N
XLogP2.36
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide (CID 60914528) is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCCC2CCCCC21.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide?
The InChIKey is NLGYOPYYZBWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(9-13(14)15)16-8-4-6-11-5-2-3-7-12(11)16/h10-12H,2-9H2,1H3,(H3,14,15).
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide?
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide has a molecular weight of 223.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide is sourced from PubChem (CID 60914528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).