N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C13H20N2O2 — CID 79080071

IUPACN-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOC(CNC1CCCc2cccnc21)OC
InChIInChI=1S/C13H20N2O2/c1-16-12(17-2)9-15-11-7-3-5-10-6-4-8-14-13(10)11/h4,6,8,11-12,15H,3,5,7,9H2,1-2H3
InChIKeyFIHJZHZBYPSJMC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79080071) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79080071
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOC(CNC1CCCc2cccnc21)OC
InChIInChI=1S/C13H20N2O2/c1-16-12(17-2)9-15-11-7-3-5-10-6-4-8-14-13(10)11/h4,6,8,11-12,15H,3,5,7,9H2,1-2H3
InChIKeyFIHJZHZBYPSJMC-UHFFFAOYSA-N
XLogP1.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 102695976
3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 79080089
3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine
CID 79079669
1-cyclopropyl-2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethanol
CID 79079971
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79080071) is N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine is COC(CNC1CCCc2cccnc21)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is FIHJZHZBYPSJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-12(17-2)9-15-11-7-3-5-10-6-4-8-14-13(10)11/h4,6,8,11-12,15H,3,5,7,9H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 236.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79080071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).