2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine

C11H20N2 — CID 158729369

IUPAC2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine
SMILESCc1cccn1C(C)(C)C(C)(C)N
InChIInChI=1S/C11H20N2/c1-9-7-6-8-13(9)11(4,5)10(2,3)12/h6-8H,12H2,1-5H3
InChIKeyIPBXZOCGIHMBLW-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.27
Rot. Bonds2

About 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine

2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine (PubChem CID 158729369) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine
PubChem CID158729369
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine
SMILESCc1cccn1C(C)(C)C(C)(C)N
InChIInChI=1S/C11H20N2/c1-9-7-6-8-13(9)11(4,5)10(2,3)12/h6-8H,12H2,1-5H3
InChIKeyIPBXZOCGIHMBLW-UHFFFAOYSA-N
XLogP2.27
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine (CID 158729369) is 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine is Cc1cccn1C(C)(C)C(C)(C)N.
What is the InChIKey of 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine?
The InChIKey is IPBXZOCGIHMBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-7-6-8-13(9)11(4,5)10(2,3)12/h6-8H,12H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine?
2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine is sourced from PubChem (CID 158729369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).