2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C16H24N4 — CID 63219730

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N1CCCC1(C)C)CCCC2
InChIInChI=1S/C16H24N4/c1-16(2)8-5-9-20(16)15-12(14(17)18)10-11-6-3-4-7-13(11)19-15/h10H,3-9H2,1-2H3,(H3,17,18)
InChIKeyACUXOXHRFVWIFJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.62
Rot. Bonds2

About 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 63219730) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID63219730
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N1CCCC1(C)C)CCCC2
InChIInChI=1S/C16H24N4/c1-16(2)8-5-9-20(16)15-12(14(17)18)10-11-6-3-4-7-13(11)19-15/h10H,3-9H2,1-2H3,(H3,17,18)
InChIKeyACUXOXHRFVWIFJ-UHFFFAOYSA-N
XLogP2.62
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.62
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 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 63219730) is 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1N1CCCC1(C)C)CCCC2.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is ACUXOXHRFVWIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-16(2)8-5-9-20(16)15-12(14(17)18)10-11-6-3-4-7-13(11)19-15/h10H,3-9H2,1-2H3,(H3,17,18).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 272.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 63219730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).