N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine

C11H20N2 — CID 100590167

IUPACN-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cccn1CC
InChIInChI=1S/C11H20N2/c1-4-12(5-2)10-11-8-7-9-13(11)6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyOPZAWTZTXSPBMO-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine

N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine (PubChem CID 100590167) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
PubChem CID100590167
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cccn1CC
InChIInChI=1S/C11H20N2/c1-4-12(5-2)10-11-8-7-9-13(11)6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyOPZAWTZTXSPBMO-UHFFFAOYSA-N
XLogP2.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine (CID 100590167) is N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine is CCN(CC)Cc1cccn1CC.
What is the InChIKey of N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is OPZAWTZTXSPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-12(5-2)10-11-8-7-9-13(11)6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine?
N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 100590167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).