[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine

C11H18N2O — CID 129427489

IUPAC[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESC[C@H](c1ccco1)N1CCC[C@H]1CN
InChIInChI=1S/C11H18N2O/c1-9(11-5-3-7-14-11)13-6-2-4-10(13)8-12/h3,5,7,9-10H,2,4,6,8,12H2,1H3/t9-,10+/m1/s1
InChIKeyULBXFDWVQCMLHL-ZJUUUORDSA-N
MW194.28 g/mol
LogP1.76
Rot. Bonds3

About [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine

[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 129427489) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID129427489
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESC[C@H](c1ccco1)N1CCC[C@H]1CN
InChIInChI=1S/C11H18N2O/c1-9(11-5-3-7-14-11)13-6-2-4-10(13)8-12/h3,5,7,9-10H,2,4,6,8,12H2,1H3/t9-,10+/m1/s1
InChIKeyULBXFDWVQCMLHL-ZJUUUORDSA-N
XLogP1.76
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-amine
CID 43535712
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine (CID 129427489) is [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine is C[C@H](c1ccco1)N1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is ULBXFDWVQCMLHL-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(11-5-3-7-14-11)13-6-2-4-10(13)8-12/h3,5,7,9-10H,2,4,6,8,12H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 129427489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).