1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine

C14H25N3S — CID 55127467

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(c1ccsc1)N1CCCC1CN(C)C
InChIInChI=1S/C14H25N3S/c1-11(15)14(12-6-8-18-10-12)17-7-4-5-13(17)9-16(2)3/h6,8,10-11,13-14H,4-5,7,9,15H2,1-3H3
InChIKeyOUJLIJDMTOHXMA-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 55127467) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine
PubChem CID55127467
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(c1ccsc1)N1CCCC1CN(C)C
InChIInChI=1S/C14H25N3S/c1-11(15)14(12-6-8-18-10-12)17-7-4-5-13(17)9-16(2)3/h6,8,10-11,13-14H,4-5,7,9,15H2,1-3H3
InChIKeyOUJLIJDMTOHXMA-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-(Pyrrolidin-1-yl)-2-(thiophen-3-yl)ethan-1-amine
CID 16787050
(2-Amino-1-(thiophen-3-yl)ethyl)dimethylamine
CID 16795633
Methyl[1-(thiophen-3-yl)propan-2-yl]amine
CID 61077840
2-(4-Methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 4352910
N,N-Dimethyl-N'-[(3-methyl-2-thienyl)methyl]-1,2-ethanediamine
CID 4720499
2-(Thiophen-3-yl)pyrrolidine
CID 3988672
2-(Thiophen-3-yl)piperazine
CID 16740794
N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide
CID 47395078
(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl)methanamine
CID 178298318
(6-pentyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl)methanamine
CID 178315658
(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl)methanamine
CID 178317828

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine (CID 55127467) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine is CC(N)C(c1ccsc1)N1CCCC1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is OUJLIJDMTOHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(15)14(12-6-8-18-10-12)17-7-4-5-13(17)9-16(2)3/h6,8,10-11,13-14H,4-5,7,9,15H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 55127467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).