2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine

C17H25N3S — CID 64830975

IUPAC2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
SMILESCC(CNC(C)c1cnc2ccsc2c1)CN1CCCC1
InChIInChI=1S/C17H25N3S/c1-13(12-20-6-3-4-7-20)10-18-14(2)15-9-17-16(19-11-15)5-8-21-17/h5,8-9,11,13-14,18H,3-4,6-7,10,12H2,1-2H3
InChIKeyLEMLEQSMYOUQCE-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.68
Rot. Bonds6

About 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine

2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine (PubChem CID 64830975) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
PubChem CID64830975
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
SMILESCC(CNC(C)c1cnc2ccsc2c1)CN1CCCC1
InChIInChI=1S/C17H25N3S/c1-13(12-20-6-3-4-7-20)10-18-14(2)15-9-17-16(19-11-15)5-8-21-17/h5,8-9,11,13-14,18H,3-4,6-7,10,12H2,1-2H3
InChIKeyLEMLEQSMYOUQCE-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831319
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341
2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
CID 64928442
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64830997
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
[1-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexyl]methanol
CID 115892911

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine (CID 64830975) is 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine is CC(CNC(C)c1cnc2ccsc2c1)CN1CCCC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
The InChIKey is LEMLEQSMYOUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13(12-20-6-3-4-7-20)10-18-14(2)15-9-17-16(19-11-15)5-8-21-17/h5,8-9,11,13-14,18H,3-4,6-7,10,12H2,1-2H3.
What are the key properties of 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine has a molecular weight of 303.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine is sourced from PubChem (CID 64830975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).