N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine

C9H20N2O — CID 117126787

IUPACN-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine
SMILESCCN1CCCC1CCONC
InChIInChI=1S/C9H20N2O/c1-3-11-7-4-5-9(11)6-8-12-10-2/h9-10H,3-8H2,1-2H3
InChIKeyINZUHLKGGLUTRE-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine

N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine (PubChem CID 117126787) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine.

Molecular Properties

Compound NameN-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine
PubChem CID117126787
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine
SMILESCCN1CCCC1CCONC
InChIInChI=1S/C9H20N2O/c1-3-11-7-4-5-9(11)6-8-12-10-2/h9-10H,3-8H2,1-2H3
InChIKeyINZUHLKGGLUTRE-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
CID 102569972
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
CID 58110544
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
1,2-diethylpiperidine
CID 19604037
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine?
The IUPAC name of N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine (CID 117126787) is N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine.
What is the SMILES notation for N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine?
The canonical SMILES for N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine is CCN1CCCC1CCONC.
What is the InChIKey of N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine?
The InChIKey is INZUHLKGGLUTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-11-7-4-5-9(11)6-8-12-10-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine?
N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine is sourced from PubChem (CID 117126787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).