N-methyl-2-(3H-pyrrol-3-yl)ethanamine

C7H12N2 — CID 162366321

IUPACN-methyl-2-(3H-pyrrol-3-yl)ethanamine
SMILESCNCCC1C=CN=C1
InChIInChI=1S/C7H12N2/c1-8-4-2-7-3-5-9-6-7/h3,5-8H,2,4H2,1H3
InChIKeyZFPDOOJMFUNLBL-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-2-(3H-pyrrol-3-yl)ethanamine

N-methyl-2-(3H-pyrrol-3-yl)ethanamine (PubChem CID 162366321) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-2-(3H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3H-pyrrol-3-yl)ethanamine
PubChem CID162366321
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-2-(3H-pyrrol-3-yl)ethanamine
SMILESCNCCC1C=CN=C1
InChIInChI=1S/C7H12N2/c1-8-4-2-7-3-5-9-6-7/h3,5-8H,2,4H2,1H3
InChIKeyZFPDOOJMFUNLBL-UHFFFAOYSA-N
XLogP0.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3H-pyrrol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(3H-pyrrol-3-yl)ethanamine (CID 162366321) is N-methyl-2-(3H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(3H-pyrrol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(3H-pyrrol-3-yl)ethanamine is CNCCC1C=CN=C1.
What is the InChIKey of N-methyl-2-(3H-pyrrol-3-yl)ethanamine?
The InChIKey is ZFPDOOJMFUNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-4-2-7-3-5-9-6-7/h3,5-8H,2,4H2,1H3.
What are the key properties of N-methyl-2-(3H-pyrrol-3-yl)ethanamine?
N-methyl-2-(3H-pyrrol-3-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 162366321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).