1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine

C12H22N2O2 — CID 103181719

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1CCOCCCOC
InChIInChI=1S/C12H22N2O2/c1-13-11-12-5-3-6-14(12)7-10-16-9-4-8-15-2/h3,5-6,13H,4,7-11H2,1-2H3
InChIKeyJBIKCEYIAONIAQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.26
Rot. Bonds9

About 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine

1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine (PubChem CID 103181719) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
PubChem CID103181719
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1CCOCCCOC
InChIInChI=1S/C12H22N2O2/c1-13-11-12-5-3-6-14(12)7-10-16-9-4-8-15-2/h3,5-6,13H,4,7-11H2,1-2H3
InChIKeyJBIKCEYIAONIAQ-UHFFFAOYSA-N
XLogP1.26
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine (CID 103181719) is 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine is CNCc1cccn1CCOCCCOC.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
The InChIKey is JBIKCEYIAONIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-11-12-5-3-6-14(12)7-10-16-9-4-8-15-2/h3,5-6,13H,4,7-11H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine has a molecular weight of 226.32 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103181719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).