2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine

C10H20N2 — CID 91051419

IUPAC2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine
SMILESCC1(C)C=C(CCN)C(C)(C)N1
InChIInChI=1S/C10H20N2/c1-9(2)7-8(5-6-11)10(3,4)12-9/h7,12H,5-6,11H2,1-4H3
InChIKeyVMFQIIPKPMNQDP-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.42
Rot. Bonds2

About 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine

2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine (PubChem CID 91051419) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine
PubChem CID91051419
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine
SMILESCC1(C)C=C(CCN)C(C)(C)N1
InChIInChI=1S/C10H20N2/c1-9(2)7-8(5-6-11)10(3,4)12-9/h7,12H,5-6,11H2,1-4H3
InChIKeyVMFQIIPKPMNQDP-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine (CID 91051419) is 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine is CC1(C)C=C(CCN)C(C)(C)N1.
What is the InChIKey of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine?
The InChIKey is VMFQIIPKPMNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)7-8(5-6-11)10(3,4)12-9/h7,12H,5-6,11H2,1-4H3.
What are the key properties of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine?
2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine has a molecular weight of 168.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 91051419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).