3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine

C12H26N2O2 — CID 102819399

IUPAC3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCOCCCN(CCOC)C[C@H]1CCCN1
InChIInChI=1S/C12H26N2O2/c1-15-9-4-7-14(8-10-16-2)11-12-5-3-6-13-12/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyVIGYWRXRVBXPHC-GFCCVEGCSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds9

About 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine

3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 102819399) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID102819399
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCOCCCN(CCOC)C[C@H]1CCCN1
InChIInChI=1S/C12H26N2O2/c1-15-9-4-7-14(8-10-16-2)11-12-5-3-6-13-12/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyVIGYWRXRVBXPHC-GFCCVEGCSA-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-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 114280319
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618388
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpentanenitrile
CID 106617573
6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylhexanenitrile
CID 106713476
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine (CID 102819399) is 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine is COCCCN(CCOC)C[C@H]1CCCN1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is VIGYWRXRVBXPHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-9-4-7-14(8-10-16-2)11-12-5-3-6-13-12/h12-13H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine?
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-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-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102819399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).