N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine

C14H23N3O — CID 55058266

IUPACN-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
SMILESCN(C)CCCOc1cc(CNC2CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-17(2)8-3-9-18-14-10-12(6-7-15-14)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyROHJXOCEXXAERX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds8

About N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine

N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 55058266) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
PubChem CID55058266
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
SMILESCN(C)CCCOc1cc(CNC2CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-17(2)8-3-9-18-14-10-12(6-7-15-14)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyROHJXOCEXXAERX-UHFFFAOYSA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine
CID 112741471
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 55139542
3-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 61269544
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 62291856
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 62296267
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]cyclopropanamine
CID 103175452
N-[[3-[2-(dimethylamino)ethoxy]-4-nitrophenyl]methyl]cyclopropanamine
CID 62115529
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133431338
N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114676730
N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
CID 119110630

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine (CID 55058266) is N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine is CN(C)CCCOc1cc(CNC2CC2)ccn1.
What is the InChIKey of N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ROHJXOCEXXAERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(2)8-3-9-18-14-10-12(6-7-15-14)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 55058266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).