N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine

C16H20N2O — CID 81428081

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
SMILESCC1(CNCCc2cccc3cccnc23)COC1
InChIInChI=1S/C16H20N2O/c1-16(11-19-12-16)10-17-9-7-14-5-2-4-13-6-3-8-18-15(13)14/h2-6,8,17H,7,9-12H2,1H3
InChIKeyNKRQZDOLOQEQAN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.40
Rot. Bonds5

About N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine

N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine (PubChem CID 81428081) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
PubChem CID81428081
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
SMILESCC1(CNCCc2cccc3cccnc23)COC1
InChIInChI=1S/C16H20N2O/c1-16(11-19-12-16)10-17-9-7-14-5-2-4-13-6-3-8-18-15(13)14/h2-6,8,17H,7,9-12H2,1H3
InChIKeyNKRQZDOLOQEQAN-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine 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-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine
CID 78957176
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 81426993
N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine
CID 81427887
N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide
CID 81426159
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine (CID 81428081) is N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine is CC1(CNCCc2cccc3cccnc23)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine?
The InChIKey is NKRQZDOLOQEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(11-19-12-16)10-17-9-7-14-5-2-4-13-6-3-8-18-15(13)14/h2-6,8,17H,7,9-12H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine?
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 81428081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).