2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

C15H26N2O — CID 66416757

IUPAC2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNCCOC2CCCC2)c1
InChIInChI=1S/C15H26N2O/c1-2-9-17-10-7-14(13-17)12-16-8-11-18-15-5-3-4-6-15/h7,10,13,15-16H,2-6,8-9,11-12H2,1H3
InChIKeyRHQXVHBCVMIIGF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.95
Rot. Bonds8

About 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66416757) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
PubChem CID66416757
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNCCOC2CCCC2)c1
InChIInChI=1S/C15H26N2O/c1-2-9-17-10-7-14(13-17)12-16-8-11-18-15-5-3-4-6-15/h7,10,13,15-16H,2-6,8-9,11-12H2,1H3
InChIKeyRHQXVHBCVMIIGF-UHFFFAOYSA-N
XLogP2.95
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (CID 66416757) is 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is CCCn1ccc(CNCCOC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is RHQXVHBCVMIIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-9-17-10-7-14(13-17)12-16-8-11-18-15-5-3-4-6-15/h7,10,13,15-16H,2-6,8-9,11-12H2,1H3.
What are the key properties of 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66416757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).