N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine

C13H18N2O2 — CID 63558300

IUPACN-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OC2CCOC2)n1
InChIInChI=1S/C13H18N2O2/c1-2-11(1)15-8-10-3-5-14-13(7-10)17-12-4-6-16-9-12/h3,5,7,11-12,15H,1-2,4,6,8-9H2
InChIKeyIYYMIDGHYGQCID-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.50
Rot. Bonds5

About N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 63558300) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID63558300
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OC2CCOC2)n1
InChIInChI=1S/C13H18N2O2/c1-2-11(1)15-8-10-3-5-14-13(7-10)17-12-4-6-16-9-12/h3,5,7,11-12,15H,1-2,4,6,8-9H2
InChIKeyIYYMIDGHYGQCID-UHFFFAOYSA-N
XLogP1.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 86786908
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949
(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
CID 97108645
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 129378989
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
3,5-difluoro-4-[[2-(oxolan-3-yloxy)-4-pyridinyl]methylamino]benzonitrile
CID 133415731
6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
CID 133415596
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
4-bromo-2-nitro-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]aniline
CID 133415640
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462232
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine (CID 63558300) is N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine is c1cc(CNC2CC2)cc(OC2CCOC2)n1.
What is the InChIKey of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is IYYMIDGHYGQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-11(1)15-8-10-3-5-14-13(7-10)17-12-4-6-16-9-12/h3,5,7,11-12,15H,1-2,4,6,8-9H2.
What are the key properties of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 234.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 63558300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).