N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine

C24H30N2O2 — CID 173472161

IUPACN-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCCCCc2ccccc2)c(-c2ccoc2)n1
InChIInChI=1S/C24H30N2O2/c1-2-15-25-18-22-12-13-23(24(26-22)21-14-17-27-19-21)28-16-8-4-7-11-20-9-5-3-6-10-20/h3,5-6,9-10,12-14,17,19,25H,2,4,7-8,11,15-16,18H2,1H3
InChIKeySIJQZBNQLKHYQQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.63
Rot. Bonds12

About N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 173472161) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID173472161
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCCCCc2ccccc2)c(-c2ccoc2)n1
InChIInChI=1S/C24H30N2O2/c1-2-15-25-18-22-12-13-23(24(26-22)21-14-17-27-19-21)28-16-8-4-7-11-20-9-5-3-6-10-20/h3,5-6,9-10,12-14,17,19,25H,2,4,7-8,11,15-16,18H2,1H3
InChIKeySIJQZBNQLKHYQQ-UHFFFAOYSA-N
XLogP5.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.63
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-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine (CID 173472161) is N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCCCCCc2ccccc2)c(-c2ccoc2)n1.
What is the InChIKey of N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is SIJQZBNQLKHYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-15-25-18-22-12-13-23(24(26-22)21-14-17-27-19-21)28-16-8-4-7-11-20-9-5-3-6-10-20/h3,5-6,9-10,12-14,17,19,25H,2,4,7-8,11,15-16,18H2,1H3.
What are the key properties of N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 378.52 g/mol, XLogP of 5.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 173472161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).