5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine

C9H16N2 — CID 58530774

IUPAC5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine
SMILESCC(C)(C)CC1=CCC(N)=N1
InChIInChI=1S/C9H16N2/c1-9(2,3)6-7-4-5-8(10)11-7/h4H,5-6H2,1-3H3,(H2,10,11)
InChIKeyYOKIEZPGULYAQR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.07
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine

5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine (PubChem CID 58530774) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine
PubChem CID58530774
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine
SMILESCC(C)(C)CC1=CCC(N)=N1
InChIInChI=1S/C9H16N2/c1-9(2,3)6-7-4-5-8(10)11-7/h4H,5-6H2,1-3H3,(H2,10,11)
InChIKeyYOKIEZPGULYAQR-UHFFFAOYSA-N
XLogP2.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine (CID 58530774) is 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine is CC(C)(C)CC1=CCC(N)=N1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine?
The InChIKey is YOKIEZPGULYAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)6-7-4-5-8(10)11-7/h4H,5-6H2,1-3H3,(H2,10,11).
What are the key properties of 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine?
5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine is sourced from PubChem (CID 58530774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).