N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine

C8H14N2 — CID 58398140

IUPACN,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine
SMILESCN(C)CCC1=CCN=C1
InChIInChI=1S/C8H14N2/c1-10(2)6-4-8-3-5-9-7-8/h3,7H,4-6H2,1-2H3
InChIKeyADIQTNXJXDCOLW-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.95
Rot. Bonds3

About N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine

N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine (PubChem CID 58398140) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine
PubChem CID58398140
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine
SMILESCN(C)CCC1=CCN=C1
InChIInChI=1S/C8H14N2/c1-10(2)6-4-8-3-5-9-7-8/h3,7H,4-6H2,1-2H3
InChIKeyADIQTNXJXDCOLW-UHFFFAOYSA-N
XLogP0.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine (CID 58398140) is N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine is CN(C)CCC1=CCN=C1.
What is the InChIKey of N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine?
The InChIKey is ADIQTNXJXDCOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10(2)6-4-8-3-5-9-7-8/h3,7H,4-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine?
N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine is sourced from PubChem (CID 58398140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).