(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine

C11H14N2 — CID 130654089

IUPAC(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESC=Cc1cccc2c1C[C@@H](N)CN2
InChIInChI=1S/C11H14N2/c1-2-8-4-3-5-11-10(8)6-9(12)7-13-11/h2-5,9,13H,1,6-7,12H2/t9-/m1/s1
InChIKeyJWCWOANFXFCUIZ-SECBINFHSA-N
MW174.25 g/mol
LogP1.62
Rot. Bonds1

About (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine

(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 130654089) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound Name(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID130654089
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESC=Cc1cccc2c1C[C@@H](N)CN2
InChIInChI=1S/C11H14N2/c1-2-8-4-3-5-11-10(8)6-9(12)7-13-11/h2-5,9,13H,1,6-7,12H2/t9-/m1/s1
InChIKeyJWCWOANFXFCUIZ-SECBINFHSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine (CID 130654089) is (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine is C=Cc1cccc2c1C[C@@H](N)CN2.
What is the InChIKey of (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is JWCWOANFXFCUIZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-8-4-3-5-11-10(8)6-9(12)7-13-11/h2-5,9,13H,1,6-7,12H2/t9-/m1/s1.
What are the key properties of (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine?
(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 174.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 130654089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).