3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine

C15H22N2O — CID 80650089

IUPAC3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
SMILESC=COCCCNCc1cccc2c1NCCC2
InChIInChI=1S/C15H22N2O/c1-2-18-11-5-9-16-12-14-7-3-6-13-8-4-10-17-15(13)14/h2-3,6-7,16-17H,1,4-5,8-12H2
InChIKeyWYJBRTHWMPWQBP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.68
Rot. Bonds7

About 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine

3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine (PubChem CID 80650089) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
PubChem CID80650089
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
SMILESC=COCCCNCc1cccc2c1NCCC2
InChIInChI=1S/C15H22N2O/c1-2-18-11-5-9-16-12-14-7-3-6-13-8-4-10-17-15(13)14/h2-3,6-7,16-17H,1,4-5,8-12H2
InChIKeyWYJBRTHWMPWQBP-UHFFFAOYSA-N
XLogP2.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
CID 80649994
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648893

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine (CID 80650089) is 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine is C=COCCCNCc1cccc2c1NCCC2.
What is the InChIKey of 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The InChIKey is WYJBRTHWMPWQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-18-11-5-9-16-12-14-7-3-6-13-8-4-10-17-15(13)14/h2-3,6-7,16-17H,1,4-5,8-12H2.
What are the key properties of 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine is sourced from PubChem (CID 80650089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).