1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine

C9H16N2 — CID 126973820

IUPAC1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine
SMILESCCn1ccc(CNC)c1C
InChIInChI=1S/C9H16N2/c1-4-11-6-5-9(7-10-3)8(11)2/h5-6,10H,4,7H2,1-3H3
InChIKeyFDBHHNLBOUVCJW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.54
Rot. Bonds3

About 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine

1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine (PubChem CID 126973820) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine
PubChem CID126973820
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine
SMILESCCn1ccc(CNC)c1C
InChIInChI=1S/C9H16N2/c1-4-11-6-5-9(7-10-3)8(11)2/h5-6,10H,4,7H2,1-3H3
InChIKeyFDBHHNLBOUVCJW-UHFFFAOYSA-N
XLogP1.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine (CID 126973820) is 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine is CCn1ccc(CNC)c1C.
What is the InChIKey of 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine?
The InChIKey is FDBHHNLBOUVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-11-6-5-9(7-10-3)8(11)2/h5-6,10H,4,7H2,1-3H3.
What are the key properties of 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine?
1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 126973820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).