2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide

C15H25N3OS — CID 81172882

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)CC1(CN)CCC1)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-18(2)12(13-5-3-8-20-13)10-17-14(19)9-15(11-16)6-4-7-15/h3,5,8,12H,4,6-7,9-11,16H2,1-2H3,(H,17,19)
InChIKeyJFYNVRBICDSGSL-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.99
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (PubChem CID 81172882) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
PubChem CID81172882
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)CC1(CN)CCC1)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-18(2)12(13-5-3-8-20-13)10-17-14(19)9-15(11-16)6-4-7-15/h3,5,8,12H,4,6-7,9-11,16H2,1-2H3,(H,17,19)
InChIKeyJFYNVRBICDSGSL-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 146133848
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 51895567
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 94029999
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 4807610
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (CID 81172882) is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is CN(C)C(CNC(=O)CC1(CN)CCC1)c1cccs1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is JFYNVRBICDSGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-18(2)12(13-5-3-8-20-13)10-17-14(19)9-15(11-16)6-4-7-15/h3,5,8,12H,4,6-7,9-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 295.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 81172882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).