N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine

C13H18N2O — CID 79783844

IUPACN-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESC=C(C)COc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H18N2O/c1-10(2)9-16-13-6-5-12(15-8-13)7-14-11-3-4-11/h5-6,8,11,14H,1,3-4,7,9H2,2H3
InChIKeyBIMMQFXWLKIYFU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds6

About N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79783844) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79783844
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESC=C(C)COc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H18N2O/c1-10(2)9-16-13-6-5-12(15-8-13)7-14-11-3-4-11/h5-6,8,11,14H,1,3-4,7,9H2,2H3
InChIKeyBIMMQFXWLKIYFU-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
CID 54849864
2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
CID 79781914
3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
CID 79781169
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]cyclopentan-1-ol
CID 79781338
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79781522
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 107041521
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 79783844) is N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine is C=C(C)COc1ccc(CNC2CC2)nc1.
What is the InChIKey of N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is BIMMQFXWLKIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)9-16-13-6-5-12(15-8-13)7-14-11-3-4-11/h5-6,8,11,14H,1,3-4,7,9H2,2H3.
What are the key properties of N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 218.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79783844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).