2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine

C12H26N2O — CID 62581642

IUPAC2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1CC(C)C
InChIInChI=1S/C12H26N2O/c1-11(2)10-14-7-4-5-12(14)9-13-6-8-15-3/h11-13H,4-10H2,1-3H3
InChIKeyCUPSWALWUJELPN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds7

About 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62581642) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62581642
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1CC(C)C
InChIInChI=1S/C12H26N2O/c1-11(2)10-14-7-4-5-12(14)9-13-6-8-15-3/h11-13H,4-10H2,1-3H3
InChIKeyCUPSWALWUJELPN-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
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

N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2,2-dimethyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103838761
3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
CID 63853747
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62582192
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 82888085
5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63855313
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine (CID 62581642) is 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine is COCCNCC1CCCN1CC(C)C.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is CUPSWALWUJELPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)10-14-7-4-5-12(14)9-13-6-8-15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62581642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).