N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine

C11H24N2O — CID 62582162

IUPACN-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CCCOC
InChIInChI=1S/C11H24N2O/c1-3-12-10-11-6-4-7-13(11)8-5-9-14-2/h11-12H,3-10H2,1-2H3
InChIKeyCWLNJYXAQFZPPA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds7

About N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62582162) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62582162
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CCCOC
InChIInChI=1S/C11H24N2O/c1-3-12-10-11-6-4-7-13(11)8-5-9-14-2/h11-12H,3-10H2,1-2H3
InChIKeyCWLNJYXAQFZPPA-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
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-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581283
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63191177
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methyl]ethanamine
CID 112589848
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 115608918
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63855313

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine (CID 62582162) is N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1CCCOC.
What is the InChIKey of N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is CWLNJYXAQFZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-12-10-11-6-4-7-13(11)8-5-9-14-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62582162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).