[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine

C11H18N2O — CID 98085589

IUPAC[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1ccco1)N1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N2O/c1-9(11-3-2-6-14-11)13-5-4-10(7-12)8-13/h2-3,6,9-10H,4-5,7-8,12H2,1H3/t9-,10-/m0/s1
InChIKeyKUYORPNWCFTDMJ-UWVGGRQHSA-N
MW194.28 g/mol
LogP1.62
Rot. Bonds3

About [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine

[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 98085589) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID98085589
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1ccco1)N1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N2O/c1-9(11-3-2-6-14-11)13-5-4-10(7-12)8-13/h2-3,6,9-10H,4-5,7-8,12H2,1H3/t9-,10-/m0/s1
InChIKeyKUYORPNWCFTDMJ-UWVGGRQHSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]pyrrolidin-3-amine
CID 43535712
1-[1-[1-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512099
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
N-ethyl-1-[1-(furan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 54975340
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 93096967
[1-[2-amino-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 112624466
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 98085589) is [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine is C[C@@H](c1ccco1)N1CC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is KUYORPNWCFTDMJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(11-3-2-6-14-11)13-5-4-10(7-12)8-13/h2-3,6,9-10H,4-5,7-8,12H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 98085589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).