2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide

C15H30N2OS — CID 78001154

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide
SMILESCCC(C)SCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2OS/c1-3-13(2)19-10-9-17-14(18)11-15(12-16)7-5-4-6-8-15/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyUWTWUZUTAONUHT-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.93
Rot. Bonds8

About 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide (PubChem CID 78001154) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide
PubChem CID78001154
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide
SMILESCCC(C)SCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2OS/c1-3-13(2)19-10-9-17-14(18)11-15(12-16)7-5-4-6-8-15/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyUWTWUZUTAONUHT-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide (CID 78001154) is 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide is CCC(C)SCCNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide?
The InChIKey is UWTWUZUTAONUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-3-13(2)19-10-9-17-14(18)11-15(12-16)7-5-4-6-8-15/h13H,3-12,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide has a molecular weight of 286.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 78001154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).