5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine

C10H16N2 — CID 118628281

IUPAC5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine
SMILESCC1(C)CC(c2cc(N)c[nH]2)C1
InChIInChI=1S/C10H16N2/c1-10(2)4-7(5-10)9-3-8(11)6-12-9/h3,6-7,12H,4-5,11H2,1-2H3
InChIKeyYQSWTELLOKFOEX-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.50
Rot. Bonds1

About 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine

5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine (PubChem CID 118628281) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine
PubChem CID118628281
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine
SMILESCC1(C)CC(c2cc(N)c[nH]2)C1
InChIInChI=1S/C10H16N2/c1-10(2)4-7(5-10)9-3-8(11)6-12-9/h3,6-7,12H,4-5,11H2,1-2H3
InChIKeyYQSWTELLOKFOEX-UHFFFAOYSA-N
XLogP2.50
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine?
The IUPAC name of 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine (CID 118628281) is 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine.
What is the SMILES notation for 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine?
The canonical SMILES for 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine is CC1(C)CC(c2cc(N)c[nH]2)C1.
What is the InChIKey of 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine?
The InChIKey is YQSWTELLOKFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2)4-7(5-10)9-3-8(11)6-12-9/h3,6-7,12H,4-5,11H2,1-2H3.
What are the key properties of 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine?
5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine has a molecular weight of 164.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclobutyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 118628281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).