N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine

C8H18N2O — CID 117126707

IUPACN-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine
SMILESCCN1CCC(CONC)C1
InChIInChI=1S/C8H18N2O/c1-3-10-5-4-8(6-10)7-11-9-2/h8-9H,3-7H2,1-2H3
InChIKeyFBCYGLARHBPMFE-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.48
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine

N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine (PubChem CID 117126707) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine
PubChem CID117126707
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine
SMILESCCN1CCC(CONC)C1
InChIInChI=1S/C8H18N2O/c1-3-10-5-4-8(6-10)7-11-9-2/h8-9H,3-7H2,1-2H3
InChIKeyFBCYGLARHBPMFE-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine
CID 20595377
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
N-[(1-ethylpyrrolidin-3-yl)methoxy]-2-methylpropan-2-amine
CID 118333568
N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
CID 137474492
1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 153375971
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]methanamine
CID 166533410
1-[3-(Methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 166901707
O-[[(3R)-1-methylpyrrolidin-3-yl]methyl]hydroxylamine
CID 169918364
O-[[(3S)-1-methylpyrrolidin-3-yl]methyl]hydroxylamine
CID 169918369
Ethane;methanamine;3-(methoxymethyl)-1-methylpyrrolidine
CID 172354225
ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine
CID 176573194
ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 177004561

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine (CID 117126707) is N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine is CCN1CCC(CONC)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine?
The InChIKey is FBCYGLARHBPMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10-5-4-8(6-10)7-11-9-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine?
N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine has a molecular weight of 158.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine is sourced from PubChem (CID 117126707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).