N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

C15H28N2O2 — CID 103411288

IUPACN-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)16-12-14-6-8-17(13-14)7-5-9-19-11-10-18-4/h6,8,13,16H,5,7,9-12H2,1-4H3
InChIKeyCKOYAAQXKARYBX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.43
Rot. Bonds9

About N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103411288) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID103411288
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)16-12-14-6-8-17(13-14)7-5-9-19-11-10-18-4/h6,8,13,16H,5,7,9-12H2,1-4H3
InChIKeyCKOYAAQXKARYBX-UHFFFAOYSA-N
XLogP2.43
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.43
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-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (CID 103411288) is N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is COCCOCCCn1ccc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CKOYAAQXKARYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)16-12-14-6-8-17(13-14)7-5-9-19-11-10-18-4/h6,8,13,16H,5,7,9-12H2,1-4H3.
What are the key properties of N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103411288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).