1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine

C16H20N2S — CID 43223638

IUPAC1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCc3ccsc3)C2)cc1
InChIInChI=1S/C16H20N2S/c1-2-4-14(5-3-1)11-18-8-6-16(12-18)17-10-15-7-9-19-13-15/h1-5,7,9,13,16-17H,6,8,10-12H2
InChIKeyGHJSHBAKKZASDG-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.11
Rot. Bonds5

About 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine

1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 43223638) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
PubChem CID43223638
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCc3ccsc3)C2)cc1
InChIInChI=1S/C16H20N2S/c1-2-4-14(5-3-1)11-18-8-6-16(12-18)17-10-15-7-9-19-13-15/h1-5,7,9,13,16-17H,6,8,10-12H2
InChIKeyGHJSHBAKKZASDG-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
CID 43784616
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine (CID 43223638) is 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine is c1ccc(CN2CCC(NCc3ccsc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is GHJSHBAKKZASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-4-14(5-3-1)11-18-8-6-16(12-18)17-10-15-7-9-19-13-15/h1-5,7,9,13,16-17H,6,8,10-12H2.
What are the key properties of 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine?
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 272.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 43223638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).