[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine

C14H23N3O2 — CID 55158772

IUPAC[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
SMILESNCc1occc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c15-9-14-12(2-6-19-14)10-16-3-1-13(11-16)17-4-7-18-8-5-17/h2,6,13H,1,3-5,7-11,15H2
InChIKeyBLDDAAVRHYPOBV-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.64
Rot. Bonds4

About [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine

[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 55158772) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID55158772
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
SMILESNCc1occc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c15-9-14-12(2-6-19-14)10-16-3-1-13(11-16)17-4-7-18-8-5-17/h2,6,13H,1,3-5,7-11,15H2
InChIKeyBLDDAAVRHYPOBV-UHFFFAOYSA-N
XLogP0.64
TPSA54.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine (CID 55158772) is [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine is NCc1occc1CN1CCC(N2CCOCC2)C1.
What is the InChIKey of [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is BLDDAAVRHYPOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-9-14-12(2-6-19-14)10-16-3-1-13(11-16)17-4-7-18-8-5-17/h2,6,13H,1,3-5,7-11,15H2.
What are the key properties of [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 55158772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).