N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine

C14H26N2O2 — CID 103181721

IUPACN-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1CCOCCCOC
InChIInChI=1S/C14H26N2O2/c1-3-7-15-13-14-6-4-8-16(14)9-12-18-11-5-10-17-2/h4,6,8,15H,3,5,7,9-13H2,1-2H3
InChIKeyFJFRHNYHSFXGEV-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.04
Rot. Bonds11

About N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine

N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine (PubChem CID 103181721) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
PubChem CID103181721
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1CCOCCCOC
InChIInChI=1S/C14H26N2O2/c1-3-7-15-13-14-6-4-8-16(14)9-12-18-11-5-10-17-2/h4,6,8,15H,3,5,7,9-13H2,1-2H3
InChIKeyFJFRHNYHSFXGEV-UHFFFAOYSA-N
XLogP2.04
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.04
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 N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine (CID 103181721) is N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine is CCCNCc1cccn1CCOCCCOC.
What is the InChIKey of N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine?
The InChIKey is FJFRHNYHSFXGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-7-15-13-14-6-4-8-16(14)9-12-18-11-5-10-17-2/h4,6,8,15H,3,5,7,9-13H2,1-2H3.
What are the key properties of N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine?
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine has a molecular weight of 254.37 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103181721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).