(1S)-1-quinolin-3-ylbut-3-en-1-amine

C13H14N2 — CID 55271973

IUPAC(1S)-1-quinolin-3-ylbut-3-en-1-amine
SMILESC=CC[C@H](N)c1cnc2ccccc2c1
InChIInChI=1S/C13H14N2/c1-2-5-12(14)11-8-10-6-3-4-7-13(10)15-9-11/h2-4,6-9,12H,1,5,14H2/t12-/m0/s1
InChIKeyIVRCFFUUWIXNEQ-LBPRGKRZSA-N
MW198.27 g/mol
LogP2.81
Rot. Bonds3

About (1S)-1-quinolin-3-ylbut-3-en-1-amine

(1S)-1-quinolin-3-ylbut-3-en-1-amine (PubChem CID 55271973) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1S)-1-quinolin-3-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-quinolin-3-ylbut-3-en-1-amine
PubChem CID55271973
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(1S)-1-quinolin-3-ylbut-3-en-1-amine
SMILESC=CC[C@H](N)c1cnc2ccccc2c1
InChIInChI=1S/C13H14N2/c1-2-5-12(14)11-8-10-6-3-4-7-13(10)15-9-11/h2-4,6-9,12H,1,5,14H2/t12-/m0/s1
InChIKeyIVRCFFUUWIXNEQ-LBPRGKRZSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-3-ylbut-3-en-1-ol
CID 77273716
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
CID 60924752
2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
CID 66054039
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
2-(oxolan-3-yl)-1-quinolin-3-ylethanamine
CID 113362099
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
CID 130673428
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
2-phenyl-1-quinolin-3-ylbutan-1-amine
CID 115798275
fluoro(quinolin-3-yl)methanol
CID 163892772
(1R)-1-(6-bromo-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203312

Frequently Asked Questions

What is the IUPAC name of (1S)-1-quinolin-3-ylbut-3-en-1-amine?
The IUPAC name of (1S)-1-quinolin-3-ylbut-3-en-1-amine (CID 55271973) is (1S)-1-quinolin-3-ylbut-3-en-1-amine.
What is the SMILES notation for (1S)-1-quinolin-3-ylbut-3-en-1-amine?
The canonical SMILES for (1S)-1-quinolin-3-ylbut-3-en-1-amine is C=CC[C@H](N)c1cnc2ccccc2c1.
What is the InChIKey of (1S)-1-quinolin-3-ylbut-3-en-1-amine?
The InChIKey is IVRCFFUUWIXNEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-5-12(14)11-8-10-6-3-4-7-13(10)15-9-11/h2-4,6-9,12H,1,5,14H2/t12-/m0/s1.
What are the key properties of (1S)-1-quinolin-3-ylbut-3-en-1-amine?
(1S)-1-quinolin-3-ylbut-3-en-1-amine has a molecular weight of 198.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-quinolin-3-ylbut-3-en-1-amine is sourced from PubChem (CID 55271973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).