N-ethyl-2-(1H-pyrrol-3-yl)ethanamine

C8H14N2 — CID 82490381

IUPACN-ethyl-2-(1H-pyrrol-3-yl)ethanamine
SMILESCCNCCc1cc[nH]c1
InChIInChI=1S/C8H14N2/c1-2-9-5-3-8-4-6-10-7-8/h4,6-7,9-10H,2-3,5H2,1H3
InChIKeyLPRMLHDLQCZPDQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.17
Rot. Bonds4

About N-ethyl-2-(1H-pyrrol-3-yl)ethanamine

N-ethyl-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 82490381) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethyl-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID82490381
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethyl-2-(1H-pyrrol-3-yl)ethanamine
SMILESCCNCCc1cc[nH]c1
InChIInChI=1S/C8H14N2/c1-2-9-5-3-8-4-6-10-7-8/h4,6-7,9-10H,2-3,5H2,1H3
InChIKeyLPRMLHDLQCZPDQ-UHFFFAOYSA-N
XLogP1.17
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1H-pyrrol-3-yl)ethanamine (CID 82490381) is N-ethyl-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1H-pyrrol-3-yl)ethanamine is CCNCCc1cc[nH]c1.
What is the InChIKey of N-ethyl-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is LPRMLHDLQCZPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-9-5-3-8-4-6-10-7-8/h4,6-7,9-10H,2-3,5H2,1H3.
What are the key properties of N-ethyl-2-(1H-pyrrol-3-yl)ethanamine?
N-ethyl-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 82490381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).