2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C15H25N3OS — CID 79121413

IUPAC2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)C1CCC(N)CC1
InChIInChI=1S/C15H25N3OS/c1-17(14-5-3-13(16)4-6-14)10-15(19)18(2)9-12-7-8-20-11-12/h7-8,11,13-14H,3-6,9-10,16H2,1-2H3
InChIKeyXUFGXPJLNZDUJH-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.91
Rot. Bonds5

About 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 79121413) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID79121413
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)C1CCC(N)CC1
InChIInChI=1S/C15H25N3OS/c1-17(14-5-3-13(16)4-6-14)10-15(19)18(2)9-12-7-8-20-11-12/h7-8,11,13-14H,3-6,9-10,16H2,1-2H3
InChIKeyXUFGXPJLNZDUJH-UHFFFAOYSA-N
XLogP1.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 104979626
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 79121413) is 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN(C)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is XUFGXPJLNZDUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-17(14-5-3-13(16)4-6-14)10-15(19)18(2)9-12-7-8-20-11-12/h7-8,11,13-14H,3-6,9-10,16H2,1-2H3.
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 79121413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).