(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine

C11H18N2S — CID 94339879

IUPAC(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC[C@@H](N)C2)c(C)s1
InChIInChI=1S/C11H18N2S/c1-8-5-10(9(2)14-8)6-13-4-3-11(12)7-13/h5,11H,3-4,6-7,12H2,1-2H3/t11-/m1/s1
InChIKeyILBSAFOBNJJRNB-LLVKDONJSA-N
MW210.35 g/mol
LogP1.90
Rot. Bonds2

About (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine

(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 94339879) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
PubChem CID94339879
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC[C@@H](N)C2)c(C)s1
InChIInChI=1S/C11H18N2S/c1-8-5-10(9(2)14-8)6-13-4-3-11(12)7-13/h5,11H,3-4,6-7,12H2,1-2H3/t11-/m1/s1
InChIKeyILBSAFOBNJJRNB-LLVKDONJSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylthiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490392
1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575263
4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde
CID 96592753
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 65060027
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
CID 66202420
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine
CID 130524735
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065820

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine (CID 94339879) is (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine is Cc1cc(CN2CC[C@@H](N)C2)c(C)s1.
What is the InChIKey of (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ILBSAFOBNJJRNB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-5-10(9(2)14-8)6-13-4-3-11(12)7-13/h5,11H,3-4,6-7,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine?
(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 210.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 94339879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).