N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine

C14H22N2O2 — CID 62456119

IUPACN-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine
SMILESCNCC1CCC(COCCc2ccccn2)O1
InChIInChI=1S/C14H22N2O2/c1-15-10-13-5-6-14(18-13)11-17-9-7-12-4-2-3-8-16-12/h2-4,8,13-15H,5-7,9-11H2,1H3
InChIKeyQIGSUOQAOQHUHX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.41
Rot. Bonds7

About N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine

N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine (PubChem CID 62456119) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine
PubChem CID62456119
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine
SMILESCNCC1CCC(COCCc2ccccn2)O1
InChIInChI=1S/C14H22N2O2/c1-15-10-13-5-6-14(18-13)11-17-9-7-12-4-2-3-8-16-12/h2-4,8,13-15H,5-7,9-11H2,1H3
InChIKeyQIGSUOQAOQHUHX-UHFFFAOYSA-N
XLogP1.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.41
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-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N-methyl-N'-[[5-[[3-[[3-[[3-(pyridin-2-ylmethylamino)propylamino]methyl]phenyl]methylamino]propylamino]methyl]oxolan-2-yl]methyl]propane-1,3-diamine
CID 154555606
2-[2-(pyrrolidin-3-ylmethoxy)ethyl]pyridine
CID 62371245
N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
N-[[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62419597
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
N-methyl-1-[5-methyl-4-(2-pyridin-2-ylethoxymethyl)furan-2-yl]methanamine
CID 62456490
5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
CID 83213949
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568
N-methyl-1-[2-[2-(2-pyridin-2-ylethoxy)ethoxy]phenyl]methanamine
CID 62455565

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine (CID 62456119) is N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine is CNCC1CCC(COCCc2ccccn2)O1.
What is the InChIKey of N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is QIGSUOQAOQHUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-10-13-5-6-14(18-13)11-17-9-7-12-4-2-3-8-16-12/h2-4,8,13-15H,5-7,9-11H2,1H3.
What are the key properties of N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine?
N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62456119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).