N-ethyl-2-ethyliminopyrrol-3-amine

C8H13N3 — CID 166688955

IUPACN-ethyl-2-ethyliminopyrrol-3-amine
SMILESCC/N=C1\N=CC=C1NCC
InChIInChI=1S/C8H13N3/c1-3-9-7-5-6-11-8(7)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyVGHLVZWLMDVMHL-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.98
Rot. Bonds3

About N-ethyl-2-ethyliminopyrrol-3-amine

N-ethyl-2-ethyliminopyrrol-3-amine (PubChem CID 166688955) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethyl-2-ethyliminopyrrol-3-amine.

Molecular Properties

Compound NameN-ethyl-2-ethyliminopyrrol-3-amine
PubChem CID166688955
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-ethyl-2-ethyliminopyrrol-3-amine
SMILESCC/N=C1\N=CC=C1NCC
InChIInChI=1S/C8H13N3/c1-3-9-7-5-6-11-8(7)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyVGHLVZWLMDVMHL-UHFFFAOYSA-N
XLogP0.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethyliminopyrrol-3-amine?
The IUPAC name of N-ethyl-2-ethyliminopyrrol-3-amine (CID 166688955) is N-ethyl-2-ethyliminopyrrol-3-amine.
What is the SMILES notation for N-ethyl-2-ethyliminopyrrol-3-amine?
The canonical SMILES for N-ethyl-2-ethyliminopyrrol-3-amine is CC/N=C1\N=CC=C1NCC.
What is the InChIKey of N-ethyl-2-ethyliminopyrrol-3-amine?
The InChIKey is VGHLVZWLMDVMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-9-7-5-6-11-8(7)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-ethyl-2-ethyliminopyrrol-3-amine?
N-ethyl-2-ethyliminopyrrol-3-amine has a molecular weight of 151.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethyliminopyrrol-3-amine is sourced from PubChem (CID 166688955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).