N-(2-quinolin-5-yloxyethyl)pentan-3-amine

C16H22N2O — CID 103045833

IUPACN-(2-quinolin-5-yloxyethyl)pentan-3-amine
SMILESCCC(CC)NCCOc1cccc2ncccc12
InChIInChI=1S/C16H22N2O/c1-3-13(4-2)17-11-12-19-16-9-5-8-15-14(16)7-6-10-18-15/h5-10,13,17H,3-4,11-12H2,1-2H3
InChIKeyFKROOWUBTAYUMT-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.39
Rot. Bonds7

About N-(2-quinolin-5-yloxyethyl)pentan-3-amine

N-(2-quinolin-5-yloxyethyl)pentan-3-amine (PubChem CID 103045833) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-quinolin-5-yloxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-quinolin-5-yloxyethyl)pentan-3-amine
PubChem CID103045833
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(2-quinolin-5-yloxyethyl)pentan-3-amine
SMILESCCC(CC)NCCOc1cccc2ncccc12
InChIInChI=1S/C16H22N2O/c1-3-13(4-2)17-11-12-19-16-9-5-8-15-14(16)7-6-10-18-15/h5-10,13,17H,3-4,11-12H2,1-2H3
InChIKeyFKROOWUBTAYUMT-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.39
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-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
CID 103044506
N-propyl-3-quinolin-5-yloxybutan-2-amine
CID 103044558
N-ethyl-3-methyl-1-quinolin-5-yloxypentan-2-amine
CID 103044542
2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
CID 103045838
N,3-dimethyl-1-quinolin-5-yloxypentan-2-amine
CID 103044444
5-(5-chloro-3-methylpentoxy)quinoline
CID 103044594
N-(furan-2-ylmethyl)-2-quinolin-5-yloxyethanamine
CID 103045894
5-(9-bromononoxy)quinoline
CID 103044601

Frequently Asked Questions

What is the IUPAC name of N-(2-quinolin-5-yloxyethyl)pentan-3-amine?
The IUPAC name of N-(2-quinolin-5-yloxyethyl)pentan-3-amine (CID 103045833) is N-(2-quinolin-5-yloxyethyl)pentan-3-amine.
What is the SMILES notation for N-(2-quinolin-5-yloxyethyl)pentan-3-amine?
The canonical SMILES for N-(2-quinolin-5-yloxyethyl)pentan-3-amine is CCC(CC)NCCOc1cccc2ncccc12.
What is the InChIKey of N-(2-quinolin-5-yloxyethyl)pentan-3-amine?
The InChIKey is FKROOWUBTAYUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-13(4-2)17-11-12-19-16-9-5-8-15-14(16)7-6-10-18-15/h5-10,13,17H,3-4,11-12H2,1-2H3.
What are the key properties of N-(2-quinolin-5-yloxyethyl)pentan-3-amine?
N-(2-quinolin-5-yloxyethyl)pentan-3-amine has a molecular weight of 258.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinolin-5-yloxyethyl)pentan-3-amine is sourced from PubChem (CID 103045833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).