N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine

C14H22N2O — CID 79080293

IUPACN-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCOCCCNC1CCCc2cccnc21
InChIInChI=1S/C14H22N2O/c1-2-17-11-5-10-15-13-8-3-6-12-7-4-9-16-14(12)13/h4,7,9,13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyXMCYEURWEWTFCB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.48
Rot. Bonds6

About N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79080293) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79080293
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCOCCCNC1CCCc2cccnc21
InChIInChI=1S/C14H22N2O/c1-2-17-11-5-10-15-13-8-3-6-12-7-4-9-16-14(12)13/h4,7,9,13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyXMCYEURWEWTFCB-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.48
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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Related Compounds

N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079663
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 141138632
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
CID 91500558
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080071

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79080293) is N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine is CCOCCCNC1CCCc2cccnc21.
What is the InChIKey of N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is XMCYEURWEWTFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-17-11-5-10-15-13-8-3-6-12-7-4-9-16-14(12)13/h4,7,9,13,15H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 234.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79080293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).