N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine

C8H14N2 — CID 76783276

IUPACN-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
SMILESCNC(C)C1=NC=C(C)C1
InChIInChI=1S/C8H14N2/c1-6-4-8(10-5-6)7(2)9-3/h5,7,9H,4H2,1-3H3
InChIKeyKBWLIKAPUGWVNN-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds2

About N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine

N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine (PubChem CID 76783276) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
PubChem CID76783276
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
SMILESCNC(C)C1=NC=C(C)C1
InChIInChI=1S/C8H14N2/c1-6-4-8(10-5-6)7(2)9-3/h5,7,9H,4H2,1-3H3
InChIKeyKBWLIKAPUGWVNN-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine (CID 76783276) is N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine is CNC(C)C1=NC=C(C)C1.
What is the InChIKey of N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
The InChIKey is KBWLIKAPUGWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-4-8(10-5-6)7(2)9-3/h5,7,9H,4H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 76783276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).