2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine

C18H24N4 — CID 90979564

IUPAC2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine
SMILESc1ccn(CCN(CCn2cccc2)CCn2cccc2)c1
InChIInChI=1S/C18H24N4/c1-2-8-19(7-1)13-16-22(17-14-20-9-3-4-10-20)18-15-21-11-5-6-12-21/h1-12H,13-18H2
InChIKeyLIMKMWYKJMRRMO-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.79
Rot. Bonds9

About 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine

2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine (PubChem CID 90979564) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine
PubChem CID90979564
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine
SMILESc1ccn(CCN(CCn2cccc2)CCn2cccc2)c1
InChIInChI=1S/C18H24N4/c1-2-8-19(7-1)13-16-22(17-14-20-9-3-4-10-20)18-15-21-11-5-6-12-21/h1-12H,13-18H2
InChIKeyLIMKMWYKJMRRMO-UHFFFAOYSA-N
XLogP2.79
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine?
The IUPAC name of 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine (CID 90979564) is 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine.
What is the SMILES notation for 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine?
The canonical SMILES for 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine is c1ccn(CCN(CCn2cccc2)CCn2cccc2)c1.
What is the InChIKey of 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine?
The InChIKey is LIMKMWYKJMRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-8-19(7-1)13-16-22(17-14-20-9-3-4-10-20)18-15-21-11-5-6-12-21/h1-12H,13-18H2.
What are the key properties of 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine?
2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine has a molecular weight of 296.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N,N-bis(2-pyrrol-1-ylethyl)ethanamine is sourced from PubChem (CID 90979564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).