N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C15H26N2O2 — CID 104647123

IUPACN-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)17-11-13-7-8-14(12-16-13)19-10-6-5-9-18-4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyQPZRWAKURPZIRK-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.78
Rot. Bonds8

About N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 104647123) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID104647123
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)17-11-13-7-8-14(12-16-13)19-10-6-5-9-18-4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyQPZRWAKURPZIRK-UHFFFAOYSA-N
XLogP2.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.78
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-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 104647123) is N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is COCCCCOc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QPZRWAKURPZIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)17-11-13-7-8-14(12-16-13)19-10-6-5-9-18-4/h7-8,12,17H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 266.38 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104647123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).