3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine

C16H22N2O — CID 103045848

IUPAC3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
SMILESCC(C)CCNCCOc1cccc2ncccc12
InChIInChI=1S/C16H22N2O/c1-13(2)8-10-17-11-12-19-16-7-3-6-15-14(16)5-4-9-18-15/h3-7,9,13,17H,8,10-12H2,1-2H3
InChIKeySRNSELYVBDOFGC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.25
Rot. Bonds7

About 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine

3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine (PubChem CID 103045848) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
PubChem CID103045848
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
SMILESCC(C)CCNCCOc1cccc2ncccc12
InChIInChI=1S/C16H22N2O/c1-13(2)8-10-17-11-12-19-16-7-3-6-15-14(16)5-4-9-18-15/h3-7,9,13,17H,8,10-12H2,1-2H3
InChIKeySRNSELYVBDOFGC-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
5-(5-chloro-3-methylpentoxy)quinoline
CID 103044594
N-(furan-2-ylmethyl)-2-quinolin-5-yloxyethanamine
CID 103045894
N-[4-(2-quinolin-5-yloxyethylamino)butyl]benzamide
CID 15840789
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027539
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
CID 103045838
N,2-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine (CID 103045848) is 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine is CC(C)CCNCCOc1cccc2ncccc12.
What is the InChIKey of 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine?
The InChIKey is SRNSELYVBDOFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)8-10-17-11-12-19-16-7-3-6-15-14(16)5-4-9-18-15/h3-7,9,13,17H,8,10-12H2,1-2H3.
What are the key properties of 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine?
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine is sourced from PubChem (CID 103045848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).