1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine

C12H14N2 — CID 102662647

IUPAC1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine
SMILESC#CCN1CCC(N)c2ccccc21
InChIInChI=1S/C12H14N2/c1-2-8-14-9-7-11(13)10-5-3-4-6-12(10)14/h1,3-6,11H,7-9,13H2
InChIKeyXJHRYYUNCDQMIA-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.53
Rot. Bonds1

About 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine

1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 102662647) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID102662647
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine
SMILESC#CCN1CCC(N)c2ccccc21
InChIInChI=1S/C12H14N2/c1-2-8-14-9-7-11(13)10-5-3-4-6-12(10)14/h1,3-6,11H,7-9,13H2
InChIKeyXJHRYYUNCDQMIA-UHFFFAOYSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine (CID 102662647) is 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine is C#CCN1CCC(N)c2ccccc21.
What is the InChIKey of 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is XJHRYYUNCDQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-8-14-9-7-11(13)10-5-3-4-6-12(10)14/h1,3-6,11H,7-9,13H2.
What are the key properties of 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine?
1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 186.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 102662647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).