1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride

C14H26Cl2N2O — CID 70485141

IUPAC1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride
SMILESCC1CC(C)(C)N(C(C)O)C2=CC=C(N)CC21.Cl.Cl
InChIInChI=1S/C14H24N2O.2ClH/c1-9-8-14(3,4)16(10(2)17)13-6-5-11(15)7-12(9)13;;/h5-6,9-10,12,17H,7-8,15H2,1-4H3;2*1H
InChIKeyHRGXAWKXTFLWAX-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.04
Rot. Bonds1

About 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride

1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride (PubChem CID 70485141) has the molecular formula C14H26Cl2N2O and a molecular weight of 309.28 g/mol. Its IUPAC name is 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride
PubChem CID70485141
Molecular FormulaC14H26Cl2N2O
Molecular Weight309.28 g/mol
Exact Mass308.14
IUPAC Name1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride
SMILESCC1CC(C)(C)N(C(C)O)C2=CC=C(N)CC21.Cl.Cl
InChIInChI=1S/C14H24N2O.2ClH/c1-9-8-14(3,4)16(10(2)17)13-6-5-11(15)7-12(9)13;;/h5-6,9-10,12,17H,7-8,15H2,1-4H3;2*1H
InChIKeyHRGXAWKXTFLWAX-UHFFFAOYSA-N
XLogP3.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride?
The IUPAC name of 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride (CID 70485141) is 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride.
What is the SMILES notation for 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride?
The canonical SMILES for 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride is CC1CC(C)(C)N(C(C)O)C2=CC=C(N)CC21.Cl.Cl.
What is the InChIKey of 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride?
The InChIKey is HRGXAWKXTFLWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.2ClH/c1-9-8-14(3,4)16(10(2)17)13-6-5-11(15)7-12(9)13;;/h5-6,9-10,12,17H,7-8,15H2,1-4H3;2*1H.
What are the key properties of 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride?
1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride has a molecular weight of 309.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol;dihydrochloride is sourced from PubChem (CID 70485141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).