N,5-ditert-butyl-2H-pyrrol-3-amine

C12H22N2 — CID 58305831

IUPACN,5-ditert-butyl-2H-pyrrol-3-amine
SMILESCC(C)(C)NC1=CC(C(C)(C)C)=NC1
InChIInChI=1S/C12H22N2/c1-11(2,3)10-7-9(8-13-10)14-12(4,5)6/h7,14H,8H2,1-6H3
InChIKeyXHIPIFYIMJKNPE-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.76
Rot. Bonds1

About N,5-ditert-butyl-2H-pyrrol-3-amine

N,5-ditert-butyl-2H-pyrrol-3-amine (PubChem CID 58305831) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,5-ditert-butyl-2H-pyrrol-3-amine.

Molecular Properties

Compound NameN,5-ditert-butyl-2H-pyrrol-3-amine
PubChem CID58305831
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,5-ditert-butyl-2H-pyrrol-3-amine
SMILESCC(C)(C)NC1=CC(C(C)(C)C)=NC1
InChIInChI=1S/C12H22N2/c1-11(2,3)10-7-9(8-13-10)14-12(4,5)6/h7,14H,8H2,1-6H3
InChIKeyXHIPIFYIMJKNPE-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-ditert-butyl-2H-pyrrol-3-amine?
The IUPAC name of N,5-ditert-butyl-2H-pyrrol-3-amine (CID 58305831) is N,5-ditert-butyl-2H-pyrrol-3-amine.
What is the SMILES notation for N,5-ditert-butyl-2H-pyrrol-3-amine?
The canonical SMILES for N,5-ditert-butyl-2H-pyrrol-3-amine is CC(C)(C)NC1=CC(C(C)(C)C)=NC1.
What is the InChIKey of N,5-ditert-butyl-2H-pyrrol-3-amine?
The InChIKey is XHIPIFYIMJKNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)10-7-9(8-13-10)14-12(4,5)6/h7,14H,8H2,1-6H3.
What are the key properties of N,5-ditert-butyl-2H-pyrrol-3-amine?
N,5-ditert-butyl-2H-pyrrol-3-amine has a molecular weight of 194.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-ditert-butyl-2H-pyrrol-3-amine is sourced from PubChem (CID 58305831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).