N-(1-methylpyrrolidin-3-yl)oxymethanamine

C6H14N2O — CID 105427551

IUPACN-(1-methylpyrrolidin-3-yl)oxymethanamine
SMILESCNOC1CCN(C)C1
InChIInChI=1S/C6H14N2O/c1-7-9-6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyXRLTWPBYYPXDPT-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.16
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)oxymethanamine

N-(1-methylpyrrolidin-3-yl)oxymethanamine (PubChem CID 105427551) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)oxymethanamine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)oxymethanamine
PubChem CID105427551
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-(1-methylpyrrolidin-3-yl)oxymethanamine
SMILESCNOC1CCN(C)C1
InChIInChI=1S/C6H14N2O/c1-7-9-6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyXRLTWPBYYPXDPT-UHFFFAOYSA-N
XLogP-0.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.16
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

methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
(3S)-3-ethenoxy-1-methylpyrrolidine
CID 59825161
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine
CID 177009726
N-(3-methoxycyclobutyl)-1-methylpyrrolidin-3-amine
CID 104871437
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474
1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
CID 162750810
(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine
CID 178107990
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
CID 140799111
CID 140799111
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
2-chloro-4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 121284010

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)oxymethanamine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)oxymethanamine (CID 105427551) is N-(1-methylpyrrolidin-3-yl)oxymethanamine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)oxymethanamine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)oxymethanamine is CNOC1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)oxymethanamine?
The InChIKey is XRLTWPBYYPXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-9-6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)oxymethanamine?
N-(1-methylpyrrolidin-3-yl)oxymethanamine has a molecular weight of 130.19 g/mol, XLogP of -0.16, 2 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)oxymethanamine is sourced from PubChem (CID 105427551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).