N'-tert-butyl-1H-pyrrole-2-carboximidamide

C9H15N3 — CID 137001579

IUPACN'-tert-butyl-1H-pyrrole-2-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1ccc[nH]1
InChIInChI=1S/C9H15N3/c1-9(2,3)12-8(10)7-5-4-6-11-7/h4-6,11H,1-3H3,(H2,10,12)
InChIKeyFCZPAWFLUALZFX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.52
Rot. Bonds1

About N'-tert-butyl-1H-pyrrole-2-carboximidamide

N'-tert-butyl-1H-pyrrole-2-carboximidamide (PubChem CID 137001579) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N'-tert-butyl-1H-pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-1H-pyrrole-2-carboximidamide
PubChem CID137001579
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN'-tert-butyl-1H-pyrrole-2-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1ccc[nH]1
InChIInChI=1S/C9H15N3/c1-9(2,3)12-8(10)7-5-4-6-11-7/h4-6,11H,1-3H3,(H2,10,12)
InChIKeyFCZPAWFLUALZFX-UHFFFAOYSA-N
XLogP1.52
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-1H-pyrrole-2-carboximidamide?
The IUPAC name of N'-tert-butyl-1H-pyrrole-2-carboximidamide (CID 137001579) is N'-tert-butyl-1H-pyrrole-2-carboximidamide.
What is the SMILES notation for N'-tert-butyl-1H-pyrrole-2-carboximidamide?
The canonical SMILES for N'-tert-butyl-1H-pyrrole-2-carboximidamide is CC(C)(C)/N=C(\N)c1ccc[nH]1.
What is the InChIKey of N'-tert-butyl-1H-pyrrole-2-carboximidamide?
The InChIKey is FCZPAWFLUALZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(2,3)12-8(10)7-5-4-6-11-7/h4-6,11H,1-3H3,(H2,10,12).
What are the key properties of N'-tert-butyl-1H-pyrrole-2-carboximidamide?
N'-tert-butyl-1H-pyrrole-2-carboximidamide has a molecular weight of 165.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-1H-pyrrole-2-carboximidamide is sourced from PubChem (CID 137001579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).