N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine

C14H26N2 — CID 82928164

IUPACN-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CC(CC)CC
InChIInChI=1S/C14H26N2/c1-5-13(6-2)11-16-10-8-9-14(16)12(4)15-7-3/h8-10,12-13,15H,5-7,11H2,1-4H3
InChIKeyFJARDMFWZFWUSX-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.59
Rot. Bonds7

About N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine

N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine (PubChem CID 82928164) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
PubChem CID82928164
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CC(CC)CC
InChIInChI=1S/C14H26N2/c1-5-13(6-2)11-16-10-8-9-14(16)12(4)15-7-3/h8-10,12-13,15H,5-7,11H2,1-4H3
InChIKeyFJARDMFWZFWUSX-UHFFFAOYSA-N
XLogP3.59
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine (CID 82928164) is N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine is CCNC(C)c1cccn1CC(CC)CC.
What is the InChIKey of N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine?
The InChIKey is FJARDMFWZFWUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-13(6-2)11-16-10-8-9-14(16)12(4)15-7-3/h8-10,12-13,15H,5-7,11H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine?
N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine has a molecular weight of 222.38 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 82928164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).