cyclobutyl-(1-methylpyrrol-3-yl)methanamine

C10H16N2 — CID 82280294

IUPACcyclobutyl-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(C(N)C2CCC2)c1
InChIInChI=1S/C10H16N2/c1-12-6-5-9(7-12)10(11)8-3-2-4-8/h5-8,10H,2-4,11H2,1H3
InChIKeyABWBONCSGZTWTH-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.83
Rot. Bonds2

About cyclobutyl-(1-methylpyrrol-3-yl)methanamine

cyclobutyl-(1-methylpyrrol-3-yl)methanamine (PubChem CID 82280294) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is cyclobutyl-(1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(1-methylpyrrol-3-yl)methanamine
PubChem CID82280294
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Namecyclobutyl-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(C(N)C2CCC2)c1
InChIInChI=1S/C10H16N2/c1-12-6-5-9(7-12)10(11)8-3-2-4-8/h5-8,10H,2-4,11H2,1H3
InChIKeyABWBONCSGZTWTH-UHFFFAOYSA-N
XLogP1.83
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(1-methylpyrrol-3-yl)methanamine?
The IUPAC name of cyclobutyl-(1-methylpyrrol-3-yl)methanamine (CID 82280294) is cyclobutyl-(1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for cyclobutyl-(1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for cyclobutyl-(1-methylpyrrol-3-yl)methanamine is Cn1ccc(C(N)C2CCC2)c1.
What is the InChIKey of cyclobutyl-(1-methylpyrrol-3-yl)methanamine?
The InChIKey is ABWBONCSGZTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-6-5-9(7-12)10(11)8-3-2-4-8/h5-8,10H,2-4,11H2,1H3.
What are the key properties of cyclobutyl-(1-methylpyrrol-3-yl)methanamine?
cyclobutyl-(1-methylpyrrol-3-yl)methanamine has a molecular weight of 164.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82280294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).