2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide

C23H31N3 — CID 15458191

IUPAC2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILES[H]/N=C(\N)N1c2ccc(C(C)C)cc2CCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3/c1-15(2)17-8-12-21-18(14-17)9-13-20(26(21)22(24)25)16-6-10-19(11-7-16)23(3,4)5/h6-8,10-12,14-15,20H,9,13H2,1-5H3,(H3,24,25)
InChIKeyRYNHWWHSEPSONN-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.49
Rot. Bonds2

About 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide

2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 15458191) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID15458191
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILES[H]/N=C(\N)N1c2ccc(C(C)C)cc2CCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3/c1-15(2)17-8-12-21-18(14-17)9-13-20(26(21)22(24)25)16-6-10-19(11-7-16)23(3,4)5/h6-8,10-12,14-15,20H,9,13H2,1-5H3,(H3,24,25)
InChIKeyRYNHWWHSEPSONN-UHFFFAOYSA-N
XLogP5.49
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 15458191) is 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide is [H]/N=C(\N)N1c2ccc(C(C)C)cc2CCC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is RYNHWWHSEPSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-15(2)17-8-12-21-18(14-17)9-13-20(26(21)22(24)25)16-6-10-19(11-7-16)23(3,4)5/h6-8,10-12,14-15,20H,9,13H2,1-5H3,(H3,24,25).
What are the key properties of 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 349.52 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 15458191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).