N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine

C18H24N2O2 — CID 135145377

IUPACN-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)C1CCOCC1
InChIInChI=1S/C18H24N2O2/c1-19-11-7-17(14-8-12-21-13-9-14)22-18-6-2-5-16-15(18)4-3-10-20-16/h2-6,10,14,17,19H,7-9,11-13H2,1H3
InChIKeyVXMXTGWAYCWVGC-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.02
Rot. Bonds6

About N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine

N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine (PubChem CID 135145377) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine
PubChem CID135145377
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)C1CCOCC1
InChIInChI=1S/C18H24N2O2/c1-19-11-7-17(14-8-12-21-13-9-14)22-18-6-2-5-16-15(18)4-3-10-20-16/h2-6,10,14,17,19H,7-9,11-13H2,1H3
InChIKeyVXMXTGWAYCWVGC-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(oxan-4-yl)butoxy]isoquinoline
CID 135177990
N-(2-quinolin-5-yloxypentyl)cyclopropanamine
CID 103045789
N-ethyl-3-quinolin-5-yloxyoxan-4-amine
CID 103044549
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508
5-[iodo(oxiran-2-yl)methoxy]quinoline
CID 18703659
1-cyclopropyl-2-quinolin-5-yloxyethanamine
CID 103044483
N,2-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
N-propyl-3-quinolin-5-yloxybutan-2-amine
CID 103044558
N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
3-(methylamino)-4-quinolin-5-yloxybutan-1-ol
CID 103044503
N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
CID 105147197

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine?
The IUPAC name of N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine (CID 135145377) is N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine.
What is the SMILES notation for N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine?
The canonical SMILES for N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine is CNCCC(Oc1cccc2ncccc12)C1CCOCC1.
What is the InChIKey of N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine?
The InChIKey is VXMXTGWAYCWVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-11-7-17(14-8-12-21-13-9-14)22-18-6-2-5-16-15(18)4-3-10-20-16/h2-6,10,14,17,19H,7-9,11-13H2,1H3.
What are the key properties of N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine?
N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine is sourced from PubChem (CID 135145377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).