(1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine

C10H18N2 — CID 55277235

IUPAC(1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine
SMILESC[C@@H](N)c1cccn1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(11)9-6-5-7-12(9)10(2,3)4/h5-8H,11H2,1-4H3/t8-/m1/s1
InChIKeyIAGFOTNNLZPRTL-MRVPVSSYSA-N
MW166.27 g/mol
LogP2.26
Rot. Bonds1

About (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine

(1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine (PubChem CID 55277235) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine
PubChem CID55277235
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine
SMILESC[C@@H](N)c1cccn1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(11)9-6-5-7-12(9)10(2,3)4/h5-8H,11H2,1-4H3/t8-/m1/s1
InChIKeyIAGFOTNNLZPRTL-MRVPVSSYSA-N
XLogP2.26
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine (CID 55277235) is (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine is C[C@@H](N)c1cccn1C(C)(C)C.
What is the InChIKey of (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine?
The InChIKey is IAGFOTNNLZPRTL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(11)9-6-5-7-12(9)10(2,3)4/h5-8H,11H2,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine?
(1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine has a molecular weight of 166.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-tert-butylpyrrol-2-yl)ethanamine is sourced from PubChem (CID 55277235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).