4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol

C16H24N2OS — CID 63211102

IUPAC4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCN(CCN1CCCC1)Cc1sccc1C#CCCO
InChIInChI=1S/C16H24N2OS/c1-17(10-11-18-8-3-4-9-18)14-16-15(7-13-20-16)6-2-5-12-19/h7,13,19H,3-5,8-12,14H2,1H3
InChIKeyCKEGVVTYGHJOEP-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.01
Rot. Bonds6

About 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol

4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol (PubChem CID 63211102) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
PubChem CID63211102
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCN(CCN1CCCC1)Cc1sccc1C#CCCO
InChIInChI=1S/C16H24N2OS/c1-17(10-11-18-8-3-4-9-18)14-16-15(7-13-20-16)6-2-5-12-19/h7,13,19H,3-5,8-12,14H2,1H3
InChIKeyCKEGVVTYGHJOEP-UHFFFAOYSA-N
XLogP2.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol with MolForge

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Related Compounds

5-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]pentan-1-ol
CID 107203692
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207619
3-[2-fluoro-5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 63211061
2-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]cyclohexan-1-ol
CID 102636221
[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 55238777
3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 79315137
4-[2-(1,4-oxazepan-4-ylmethyl)thiophen-3-yl]but-3-yn-1-ol
CID 62974013
3-[2-[[3-methoxypropyl(methyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 55142239
4-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62778177
(2-ethylpiperidin-1-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 63797281
4-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62972395
4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107228623

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol (CID 63211102) is 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol is CN(CCN1CCCC1)Cc1sccc1C#CCCO.
What is the InChIKey of 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is CKEGVVTYGHJOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17(10-11-18-8-3-4-9-18)14-16-15(7-13-20-16)6-2-5-12-19/h7,13,19H,3-5,8-12,14H2,1H3.
What are the key properties of 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol?
4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol has a molecular weight of 292.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 63211102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).