(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine

C14H22N2O2 — CID 72883900

IUPAC(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESCc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2N)o1
InChIInChI=1S/C14H22N2O2/c1-10-2-3-14(18-10)12-8-16(9-13(12)15)11-4-6-17-7-5-11/h2-3,11-13H,4-9,15H2,1H3/t12-,13-/m0/s1
InChIKeyCURWNNDVKNPJAQ-STQMWFEESA-N
MW250.34 g/mol
LogP1.49
Rot. Bonds2

About (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine

(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine (PubChem CID 72883900) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine
PubChem CID72883900
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESCc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2N)o1
InChIInChI=1S/C14H22N2O2/c1-10-2-3-14(18-10)12-8-16(9-13(12)15)11-4-6-17-7-5-11/h2-3,11-13H,4-9,15H2,1H3/t12-,13-/m0/s1
InChIKeyCURWNNDVKNPJAQ-STQMWFEESA-N
XLogP1.49
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine (CID 72883900) is (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine is Cc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2N)o1.
What is the InChIKey of (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine?
The InChIKey is CURWNNDVKNPJAQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-2-3-14(18-10)12-8-16(9-13(12)15)11-4-6-17-7-5-11/h2-3,11-13H,4-9,15H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine?
(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine has a molecular weight of 250.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 72883900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).