2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine

C12H26N2O2 — CID 103178617

IUPAC2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOCCCOCCNCC1CCN(C)C1
InChIInChI=1S/C12H26N2O2/c1-14-6-4-12(11-14)10-13-5-9-16-8-3-7-15-2/h12-13H,3-11H2,1-2H3
InChIKeyFAWGNXYLWASQPF-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.58
Rot. Bonds9

About 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine

2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 103178617) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID103178617
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOCCCOCCNCC1CCN(C)C1
InChIInChI=1S/C12H26N2O2/c1-14-6-4-12(11-14)10-13-5-9-16-8-3-7-15-2/h12-13H,3-11H2,1-2H3
InChIKeyFAWGNXYLWASQPF-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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

2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol
CID 61070883
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate
CID 103239648
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111407009
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409411
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409514
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (CID 103178617) is 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is COCCCOCCNCC1CCN(C)C1.
What is the InChIKey of 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is FAWGNXYLWASQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14-6-4-12(11-14)10-13-5-9-16-8-3-7-15-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 103178617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).