3,3-dimethylpyrrol-2-amine

C6H10N2 — CID 69479039

IUPAC3,3-dimethylpyrrol-2-amine
SMILESCC1(C)C=CN=C1N
InChIInChI=1S/C6H10N2/c1-6(2)3-4-8-5(6)7/h3-4H,1-2H3,(H2,7,8)
InChIKeyISUXLPWURZAHFB-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.90
Rot. Bonds

About 3,3-dimethylpyrrol-2-amine

3,3-dimethylpyrrol-2-amine (PubChem CID 69479039) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,3-dimethylpyrrol-2-amine.

Molecular Properties

Compound Name3,3-dimethylpyrrol-2-amine
PubChem CID69479039
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,3-dimethylpyrrol-2-amine
SMILESCC1(C)C=CN=C1N
InChIInChI=1S/C6H10N2/c1-6(2)3-4-8-5(6)7/h3-4H,1-2H3,(H2,7,8)
InChIKeyISUXLPWURZAHFB-UHFFFAOYSA-N
XLogP0.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpyrrol-2-amine?
The IUPAC name of 3,3-dimethylpyrrol-2-amine (CID 69479039) is 3,3-dimethylpyrrol-2-amine.
What is the SMILES notation for 3,3-dimethylpyrrol-2-amine?
The canonical SMILES for 3,3-dimethylpyrrol-2-amine is CC1(C)C=CN=C1N.
What is the InChIKey of 3,3-dimethylpyrrol-2-amine?
The InChIKey is ISUXLPWURZAHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(2)3-4-8-5(6)7/h3-4H,1-2H3,(H2,7,8).
What are the key properties of 3,3-dimethylpyrrol-2-amine?
3,3-dimethylpyrrol-2-amine has a molecular weight of 110.16 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyrrol-2-amine is sourced from PubChem (CID 69479039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).