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

C10H16N2O — CID 99957203

IUPAC(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(C)C[C@H]2N)o1
InChIInChI=1S/C10H16N2O/c1-7-3-4-10(13-7)8-5-12(2)6-9(8)11/h3-4,8-9H,5-6,11H2,1-2H3/t8-,9-/m1/s1
InChIKeyAKEHHWOHPGUYOD-RKDXNWHRSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds1

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

(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine (PubChem CID 99957203) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
PubChem CID99957203
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(C)C[C@H]2N)o1
InChIInChI=1S/C10H16N2O/c1-7-3-4-10(13-7)8-5-12(2)6-9(8)11/h3-4,8-9H,5-6,11H2,1-2H3/t8-,9-/m1/s1
InChIKeyAKEHHWOHPGUYOD-RKDXNWHRSA-N
XLogP0.94
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 129494042
1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 156607312
2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 156603923
2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 133138089
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 72934559
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19432891
(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124669561
2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile
CID 116837015
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72901820
[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 156604168
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72912508
[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine
CID 112546386

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine (CID 99957203) is (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine is Cc1ccc([C@@H]2CN(C)C[C@H]2N)o1.
What is the InChIKey of (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The InChIKey is AKEHHWOHPGUYOD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-3-4-10(13-7)8-5-12(2)6-9(8)11/h3-4,8-9H,5-6,11H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 99957203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).