(8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine

C10H14N2O — CID 97184033

IUPAC(8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccnc2c1CCC[C@@H]2N
InChIInChI=1S/C10H14N2O/c1-13-9-5-6-12-10-7(9)3-2-4-8(10)11/h5-6,8H,2-4,11H2,1H3/t8-/m0/s1
InChIKeyRAAFWHDPWRQKAW-QMMMGPOBSA-N
MW178.24 g/mol
LogP1.43
Rot. Bonds1

About (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 97184033) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID97184033
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccnc2c1CCC[C@@H]2N
InChIInChI=1S/C10H14N2O/c1-13-9-5-6-12-10-7(9)3-2-4-8(10)11/h5-6,8H,2-4,11H2,1H3/t8-/m0/s1
InChIKeyRAAFWHDPWRQKAW-QMMMGPOBSA-N
XLogP1.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine (CID 97184033) is (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine is COc1ccnc2c1CCC[C@@H]2N.
What is the InChIKey of (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is RAAFWHDPWRQKAW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-9-5-6-12-10-7(9)3-2-4-8(10)11/h5-6,8H,2-4,11H2,1H3/t8-/m0/s1.
What are the key properties of (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 178.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 97184033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).