N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine

C17H22N2O — CID 81224497

IUPACN-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cccc2cccnc12)C1(C)CCCCO1
InChIInChI=1S/C17H22N2O/c1-17(10-3-4-12-20-17)16(18-2)14-9-5-7-13-8-6-11-19-15(13)14/h5-9,11,16,18H,3-4,10,12H2,1-2H3
InChIKeyCWKWFFSRJMIODL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine

N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine (PubChem CID 81224497) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
PubChem CID81224497
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cccc2cccnc12)C1(C)CCCCO1
InChIInChI=1S/C17H22N2O/c1-17(10-3-4-12-20-17)16(18-2)14-9-5-7-13-8-6-11-19-15(13)14/h5-9,11,16,18H,3-4,10,12H2,1-2H3
InChIKeyCWKWFFSRJMIODL-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine 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-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229913
1-(1-ethylcyclopentyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021283
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 104660580
N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708423
1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 114269056
1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol
CID 103451995
1-cyclopentyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81231662
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
1-cyclopropyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81220023
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114939321
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 107360044

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine (CID 81224497) is N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine is CNC(c1cccc2cccnc12)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine?
The InChIKey is CWKWFFSRJMIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(10-3-4-12-20-17)16(18-2)14-9-5-7-13-8-6-11-19-15(13)14/h5-9,11,16,18H,3-4,10,12H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine?
N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 81224497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).