3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine

C12H26N2O2 — CID 106025656

IUPAC3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCC1CCCN1C
InChIInChI=1S/C12H26N2O2/c1-14-7-3-5-12(14)11-13-6-4-8-16-10-9-15-2/h12-13H,3-11H2,1-2H3
InChIKeyTZPUDMRLUPDNFU-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine

3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine (PubChem CID 106025656) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
PubChem CID106025656
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCC1CCCN1C
InChIInChI=1S/C12H26N2O2/c1-14-7-3-5-12(14)11-13-6-4-8-16-10-9-15-2/h12-13H,3-11H2,1-2H3
InChIKeyTZPUDMRLUPDNFU-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
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-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409514
N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025675
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
N-methyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]propan-1-amine
CID 62459710
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103413070
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409411

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine (CID 106025656) is 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine is COCCOCCCNCC1CCCN1C.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
The InChIKey is TZPUDMRLUPDNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14-7-3-5-12(14)11-13-6-4-8-16-10-9-15-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106025656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).