2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine

C13H28N2O — CID 65467309

IUPAC2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
SMILESCN1CCCCC1COCCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-13(2,3)14-8-10-16-11-12-7-5-6-9-15(12)4/h12,14H,5-11H2,1-4H3
InChIKeyJXACXGKYLJVALR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine

2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine (PubChem CID 65467309) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
PubChem CID65467309
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
SMILESCN1CCCCC1COCCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-13(2,3)14-8-10-16-11-12-7-5-6-9-15(12)4/h12,14H,5-11H2,1-4H3
InChIKeyJXACXGKYLJVALR-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65469427
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
2-methyl-N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559039
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine
CID 107912960
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 121001602
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine (CID 65467309) is 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine is CN1CCCCC1COCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine?
The InChIKey is JXACXGKYLJVALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)14-8-10-16-11-12-7-5-6-9-15(12)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine?
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine is sourced from PubChem (CID 65467309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).