(5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine

C13H20N2O — CID 70962707

IUPAC(5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCCCOc1ccc2c(n1)CCC[C@H]2N
InChIInChI=1S/C13H20N2O/c1-2-3-9-16-13-8-7-10-11(14)5-4-6-12(10)15-13/h7-8,11H,2-6,9,14H2,1H3/t11-/m1/s1
InChIKeyDQIXKBMWMRYWGX-LLVKDONJSA-N
MW220.32 g/mol
LogP2.60
Rot. Bonds4

About (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine

(5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 70962707) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name(5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID70962707
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCCCOc1ccc2c(n1)CCC[C@H]2N
InChIInChI=1S/C13H20N2O/c1-2-3-9-16-13-8-7-10-11(14)5-4-6-12(10)15-13/h7-8,11H,2-6,9,14H2,1H3/t11-/m1/s1
InChIKeyDQIXKBMWMRYWGX-LLVKDONJSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine (CID 70962707) is (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine is CCCCOc1ccc2c(n1)CCC[C@H]2N.
What is the InChIKey of (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is DQIXKBMWMRYWGX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-9-16-13-8-7-10-11(14)5-4-6-12(10)15-13/h7-8,11H,2-6,9,14H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine?
(5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 220.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-butoxy-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 70962707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).