N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine

C10H22N2O — CID 55209777

IUPACN-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine
SMILESCNCCCOCCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-11-5-4-9-13-10-8-12-6-2-3-7-12/h11H,2-10H2,1H3
InChIKeyWFNJBGDYKHLEBP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds7

About N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine

N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine (PubChem CID 55209777) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine
PubChem CID55209777
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine
SMILESCNCCCOCCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-11-5-4-9-13-10-8-12-6-2-3-7-12/h11H,2-10H2,1H3
InChIKeyWFNJBGDYKHLEBP-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
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

(3R)-3-(1-Methylethoxy)pyrrolidine
CID 68339378
Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
2-(2-(Pyrrolidin-1-yl)ethoxy)ethan-1-amine
CID 10080641
(3S)-3-ethoxypyrrolidine
CID 11116030
(3S)-3-(tert-butoxy)pyrrolidine hydrochloride
CID 68546414
2-[2-[2-(1-Methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride
CID 11323710
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
4-[2-(Pyrrolidin-3-yloxy)ethyl]morpholine
CID 21333165
1-[2-(Pyrrolidin-3-yloxy)ethyl]pyrrolidine
CID 62329113
3-(2-Methylpropoxy)pyrrolidine hydrochloride
CID 71756041
1-Methyl-4-(pyrrolidin-3-yloxy)piperidine dihydrochloride
CID 117046275
(3S)-3-(1,1-dimethylethoxy)Pyrrolidine
CID 55299896

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine?
The IUPAC name of N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine (CID 55209777) is N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine is CNCCCOCCN1CCCC1.
What is the InChIKey of N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine?
The InChIKey is WFNJBGDYKHLEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-11-5-4-9-13-10-8-12-6-2-3-7-12/h11H,2-10H2,1H3.
What are the key properties of N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine?
N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine is sourced from PubChem (CID 55209777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).