6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline

C15H19N — CID 170001582

IUPAC6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline
SMILESC#CC1CCc2nccc(CC(C)C)c2C1
InChIInChI=1S/C15H19N/c1-4-12-5-6-15-14(10-12)13(7-8-16-15)9-11(2)3/h1,7-8,11-12H,5-6,9-10H2,2-3H3
InChIKeyFQQCYUSWWUCWPC-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.02
Rot. Bonds2

About 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline

6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 170001582) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline
PubChem CID170001582
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline
SMILESC#CC1CCc2nccc(CC(C)C)c2C1
InChIInChI=1S/C15H19N/c1-4-12-5-6-15-14(10-12)13(7-8-16-15)9-11(2)3/h1,7-8,11-12H,5-6,9-10H2,2-3H3
InChIKeyFQQCYUSWWUCWPC-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline (CID 170001582) is 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline is C#CC1CCc2nccc(CC(C)C)c2C1.
What is the InChIKey of 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is FQQCYUSWWUCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-4-12-5-6-15-14(10-12)13(7-8-16-15)9-11(2)3/h1,7-8,11-12H,5-6,9-10H2,2-3H3.
What are the key properties of 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline?
6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 213.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 170001582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).