2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide

C13H22N4O — CID 106105007

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)CC2(CN)CCC2)n1
InChIInChI=1S/C13H22N4O/c1-17-8-4-11(16-17)3-7-15-12(18)9-13(10-14)5-2-6-13/h4,8H,2-3,5-7,9-10,14H2,1H3,(H,15,18)
InChIKeyOXSVROMOWGAIBQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.60
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 106105007) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID106105007
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)CC2(CN)CCC2)n1
InChIInChI=1S/C13H22N4O/c1-17-8-4-11(16-17)3-7-15-12(18)9-13(10-14)5-2-6-13/h4,8H,2-3,5-7,9-10,14H2,1H3,(H,15,18)
InChIKeyOXSVROMOWGAIBQ-UHFFFAOYSA-N
XLogP0.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106104898
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 81168802
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
CID 106104420
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 81168800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (CID 106105007) is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide is Cn1ccc(CCNC(=O)CC2(CN)CCC2)n1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is OXSVROMOWGAIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-8-4-11(16-17)3-7-15-12(18)9-13(10-14)5-2-6-13/h4,8H,2-3,5-7,9-10,14H2,1H3,(H,15,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.60, 6 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-(1-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 106105007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).