2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine

C12H22N2 — CID 58571054

IUPAC2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine
SMILESCC1=C(C)C(C(C)(C)NC(C)C)=NC1
InChIInChI=1S/C12H22N2/c1-8(2)14-12(5,6)11-10(4)9(3)7-13-11/h8,14H,7H2,1-6H3
InChIKeyQJKBLVGLLLGFJC-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.55
Rot. Bonds3

About 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine

2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine (PubChem CID 58571054) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine
PubChem CID58571054
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine
SMILESCC1=C(C)C(C(C)(C)NC(C)C)=NC1
InChIInChI=1S/C12H22N2/c1-8(2)14-12(5,6)11-10(4)9(3)7-13-11/h8,14H,7H2,1-6H3
InChIKeyQJKBLVGLLLGFJC-UHFFFAOYSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine (CID 58571054) is 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine is CC1=C(C)C(C(C)(C)NC(C)C)=NC1.
What is the InChIKey of 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine?
The InChIKey is QJKBLVGLLLGFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-8(2)14-12(5,6)11-10(4)9(3)7-13-11/h8,14H,7H2,1-6H3.
What are the key properties of 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine?
2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 58571054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).