N-methoxy-1-pyrrolidin-3-ylmethanamine

C6H14N2O — CID 14478542

IUPACN-methoxy-1-pyrrolidin-3-ylmethanamine
SMILESCONCC1CCNC1
InChIInChI=1S/C6H14N2O/c1-9-8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3
InChIKeyBXHNKKFAHKUAPA-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.25
Rot. Bonds3

About N-methoxy-1-pyrrolidin-3-ylmethanamine

N-methoxy-1-pyrrolidin-3-ylmethanamine (PubChem CID 14478542) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-methoxy-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-methoxy-1-pyrrolidin-3-ylmethanamine
PubChem CID14478542
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-methoxy-1-pyrrolidin-3-ylmethanamine
SMILESCONCC1CCNC1
InChIInChI=1S/C6H14N2O/c1-9-8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3
InChIKeyBXHNKKFAHKUAPA-UHFFFAOYSA-N
XLogP-0.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine
CID 153331663
1-cyclohexyl-N-methoxymethanamine
CID 54238767
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
4-[(methoxyamino)methyl]cyclohexan-1-amine
CID 163922118
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
3-(4-methoxybutoxymethyl)pyrrolidine
CID 104648277
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-methoxy-1-pyrrolidin-3-ylmethanamine (CID 14478542) is N-methoxy-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-methoxy-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-methoxy-1-pyrrolidin-3-ylmethanamine is CONCC1CCNC1.
What is the InChIKey of N-methoxy-1-pyrrolidin-3-ylmethanamine?
The InChIKey is BXHNKKFAHKUAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-9-8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3.
What are the key properties of N-methoxy-1-pyrrolidin-3-ylmethanamine?
N-methoxy-1-pyrrolidin-3-ylmethanamine has a molecular weight of 130.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 14478542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).