N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

C13H21N3O — CID 102740288

IUPACN-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESC[C@@H](N)c1ccc(OCCN(C)C2CC2)nc1
InChIInChI=1S/C13H21N3O/c1-10(14)11-3-6-13(15-9-11)17-8-7-16(2)12-4-5-12/h3,6,9-10,12H,4-5,7-8,14H2,1-2H3/t10-/m1/s1
InChIKeyPGZZQJJTRARHBR-SNVBAGLBSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740288) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740288
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESC[C@@H](N)c1ccc(OCCN(C)C2CC2)nc1
InChIInChI=1S/C13H21N3O/c1-10(14)11-3-6-13(15-9-11)17-8-7-16(2)12-4-5-12/h3,6,9-10,12H,4-5,7-8,14H2,1-2H3/t10-/m1/s1
InChIKeyPGZZQJJTRARHBR-SNVBAGLBSA-N
XLogP1.57
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
CID 106202300
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2,3-diamine
CID 102739784
N-[2-(6-hydrazinylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102741463
N-[2-[6-(aminomethyl)pyrazin-2-yl]oxyethyl]-N-methylcyclopropanamine
CID 102740601
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyrimidine-2,4-diamine
CID 102741225
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937078
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004
[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
CID 102740402
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methylpyrimidin-2-amine
CID 102741286
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (CID 102740288) is N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is C[C@@H](N)c1ccc(OCCN(C)C2CC2)nc1.
What is the InChIKey of N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is PGZZQJJTRARHBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)11-3-6-13(15-9-11)17-8-7-16(2)12-4-5-12/h3,6,9-10,12H,4-5,7-8,14H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).