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

C7H16N2O — CID 105428701

IUPACN-[(1-methylpyrrolidin-3-yl)methoxy]methanamine
SMILESCNOCC1CCN(C)C1
InChIInChI=1S/C7H16N2O/c1-8-10-6-7-3-4-9(2)5-7/h7-8H,3-6H2,1-2H3
InChIKeyDWDGSARXFBZVEJ-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.09
Rot. Bonds3

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

N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine (PubChem CID 105428701) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methoxy]methanamine
PubChem CID105428701
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methoxy]methanamine
SMILESCNOCC1CCN(C)C1
InChIInChI=1S/C7H16N2O/c1-8-10-6-7-3-4-9(2)5-7/h7-8H,3-6H2,1-2H3
InChIKeyDWDGSARXFBZVEJ-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.09
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-[[(3S)-pyrrolidin-3-yl]methyl]hydroxylamine
CID 149567589
(R)-O-(Pyrrolidin-3-ylmethyl)hydroxylamine
CID 172868993
O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine
CID 20595377
O-(pyrrolidin-3-ylmethyl)hydroxylamine
CID 105427084
N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine
CID 117126707
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
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]methanamine
CID 166533410
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine (CID 105428701) is N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine is CNOCC1CCN(C)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine?
The InChIKey is DWDGSARXFBZVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-10-6-7-3-4-9(2)5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine?
N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine has a molecular weight of 144.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methoxy]methanamine is sourced from PubChem (CID 105428701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).