N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine

C17H24N2O — CID 106452343

IUPACN-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
SMILESCC(C)COCCNCCc1cccc2cccnc12
InChIInChI=1S/C17H24N2O/c1-14(2)13-20-12-11-18-10-8-16-6-3-5-15-7-4-9-19-17(15)16/h3-7,9,14,18H,8,10-13H2,1-2H3
InChIKeyIWWWYKMLGMEYFW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine

N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine (PubChem CID 106452343) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
PubChem CID106452343
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
SMILESCC(C)COCCNCCc1cccc2cccnc12
InChIInChI=1S/C17H24N2O/c1-14(2)13-20-12-11-18-10-8-16-6-3-5-15-7-4-9-19-17(15)16/h3-7,9,14,18H,8,10-13H2,1-2H3
InChIKeyIWWWYKMLGMEYFW-UHFFFAOYSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.04
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

1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111401038
1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81426934
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611278
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111401842
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
CID 103258774
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine (CID 106452343) is N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine is CC(C)COCCNCCc1cccc2cccnc12.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine?
The InChIKey is IWWWYKMLGMEYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(2)13-20-12-11-18-10-8-16-6-3-5-15-7-4-9-19-17(15)16/h3-7,9,14,18H,8,10-13H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine?
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 106452343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).