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

C10H22N2O — CID 60925634

IUPAC3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCOCCCNCC1CCN(C)C1
InChIInChI=1S/C10H22N2O/c1-12-6-4-10(9-12)8-11-5-3-7-13-2/h10-11H,3-9H2,1-2H3
InChIKeyCIPMAGYDCJMXNZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.56
Rot. Bonds6

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

3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 60925634) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID60925634
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCOCCCNCC1CCN(C)C1
InChIInChI=1S/C10H22N2O/c1-12-6-4-10(9-12)8-11-5-3-7-13-2/h10-11H,3-9H2,1-2H3
InChIKeyCIPMAGYDCJMXNZ-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanamine
CID 17389974
[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanamine
CID 17389989
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961971
N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961972
4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
CID 61870675
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61892790
[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrolidin-3-yl]methanamine
CID 62063790
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]methanamine
CID 63267793
3,3,3-Trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine
CID 103366371
3-methoxy-3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-1-amine
CID 106675359
N-[(3-methyloxetan-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 113934428

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (CID 60925634) is 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is COCCCNCC1CCN(C)C1.
What is the InChIKey of 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is CIPMAGYDCJMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12-6-4-10(9-12)8-11-5-3-7-13-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 60925634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).