N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine

C13H20N2O2 — CID 103228870

IUPACN-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1cccnc1C
InChIInChI=1S/C13H20N2O2/c1-10-13(4-3-7-14-10)17-12(9-16-2)8-15-11-5-6-11/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3
InChIKeyXBYVSIXNLUEJCW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.54
Rot. Bonds7

About N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine

N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine (PubChem CID 103228870) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine
PubChem CID103228870
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1cccnc1C
InChIInChI=1S/C13H20N2O2/c1-10-13(4-3-7-14-10)17-12(9-16-2)8-15-11-5-6-11/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3
InChIKeyXBYVSIXNLUEJCW-UHFFFAOYSA-N
XLogP1.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228211
N-(2-quinolin-5-yloxypentyl)cyclopropanamine
CID 103045789
N-(3-methoxy-2-naphthalen-2-yloxypropyl)cyclopropanamine
CID 103228378
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
CID 83045840
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 105407433
3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
CID 103229133
4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 126776390
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278
N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
CID 104530610
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine (CID 103228870) is N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine is COCC(CNC1CC1)Oc1cccnc1C.
What is the InChIKey of N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine?
The InChIKey is XBYVSIXNLUEJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-13(4-3-7-14-10)17-12(9-16-2)8-15-11-5-6-11/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3.
What are the key properties of N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine?
N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine has a molecular weight of 236.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine is sourced from PubChem (CID 103228870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).