[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine

C13H21N3O — CID 114199079

IUPAC[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
SMILESCOCC1CCN(Cc2ncccc2CN)C1
InChIInChI=1S/C13H21N3O/c1-17-10-11-4-6-16(8-11)9-13-12(7-14)3-2-5-15-13/h2-3,5,11H,4,6-10,14H2,1H3
InChIKeyLGBFRUSAHVFOCA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.01
Rot. Bonds5

About [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine

[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine (PubChem CID 114199079) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
PubChem CID114199079
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
SMILESCOCC1CCN(Cc2ncccc2CN)C1
InChIInChI=1S/C13H21N3O/c1-17-10-11-4-6-16(8-11)9-13-12(7-14)3-2-5-15-13/h2-3,5,11H,4,6-10,14H2,1H3
InChIKeyLGBFRUSAHVFOCA-UHFFFAOYSA-N
XLogP1.01
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
1-[1-[(3-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 82740318
[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199128
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 102956575
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97164834
[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
CID 64581199
1-[1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62893815
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 64599345
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine (CID 114199079) is [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine is COCC1CCN(Cc2ncccc2CN)C1.
What is the InChIKey of [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine?
The InChIKey is LGBFRUSAHVFOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-10-11-4-6-16(8-11)9-13-12(7-14)3-2-5-15-13/h2-3,5,11H,4,6-10,14H2,1H3.
What are the key properties of [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine?
[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114199079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).