2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide

C12H24N2O2 — CID 81169665

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(3-6-15)8-14-11(16)7-12(9-13)4-2-5-12/h10,15H,2-9,13H2,1H3,(H,14,16)
InChIKeyHECPHNKAIJBGPD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide (PubChem CID 81169665) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
PubChem CID81169665
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(3-6-15)8-14-11(16)7-12(9-13)4-2-5-12/h10,15H,2-9,13H2,1H3,(H,14,16)
InChIKeyHECPHNKAIJBGPD-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 66090208
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
CID 104678420
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291
2-(1-aminocyclobutyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 79854232

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide (CID 81169665) is 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide is CC(CCO)CNC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide?
The InChIKey is HECPHNKAIJBGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(3-6-15)8-14-11(16)7-12(9-13)4-2-5-12/h10,15H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 81169665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).