4-methoxypyrrolidin-3-amine

C5H12N2O — CID 14457269

IUPAC4-methoxypyrrolidin-3-amine
SMILESCOC1CNCC1N
InChIInChI=1S/C5H12N2O/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3,6H2,1H3
InChIKeyGUCHNZPHITVHJH-UHFFFAOYSA-N
MW116.16 g/mol
LogP-1.07
Rot. Bonds1

About 4-methoxypyrrolidin-3-amine

4-methoxypyrrolidin-3-amine (PubChem CID 14457269) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 4-methoxypyrrolidin-3-amine.

Molecular Properties

Compound Name4-methoxypyrrolidin-3-amine
PubChem CID14457269
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name4-methoxypyrrolidin-3-amine
SMILESCOC1CNCC1N
InChIInChI=1S/C5H12N2O/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3,6H2,1H3
InChIKeyGUCHNZPHITVHJH-UHFFFAOYSA-N
XLogP-1.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxypyrrolidine
CID 11355447
1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
rac-(3R,4R)-1-methyl-4-(methylamino)pyrrolidin-3-ol
CID 44141717
rac-(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
rac-(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine
CID 75531171
Trans-1-Ethyl-4-Methoxy-3-Pyrrolidinamine Dihydrochloride
CID 71311032
trans-4-Methoxy-1-methyl-3-pyrrolidinamine dihydrochloride
CID 71311037
rac-(2R,3R)-3-methoxy-2-methylpyrrolidine hydrochloride
CID 154845828
(3s,4s)-4-Methoxy-n-methylpyrrolidin-3-amine
CID 5232365
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
4-(2,2,2-Trifluoroethoxy)pyrrolidin-3-amine
CID 15023849
4-Methoxy-1-methylpyrrolidin-3-amine
CID 18985363

Frequently Asked Questions

What is the IUPAC name of 4-methoxypyrrolidin-3-amine?
The IUPAC name of 4-methoxypyrrolidin-3-amine (CID 14457269) is 4-methoxypyrrolidin-3-amine.
What is the SMILES notation for 4-methoxypyrrolidin-3-amine?
The canonical SMILES for 4-methoxypyrrolidin-3-amine is COC1CNCC1N.
What is the InChIKey of 4-methoxypyrrolidin-3-amine?
The InChIKey is GUCHNZPHITVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-methoxypyrrolidin-3-amine?
4-methoxypyrrolidin-3-amine has a molecular weight of 116.16 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyrrolidin-3-amine is sourced from PubChem (CID 14457269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).