3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C15H26N2O — CID 70847455

IUPAC3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(CC(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-13-8-6-9-14(16-13)18-11-7-10-17(4)5/h6,8-9H,7,10-12H2,1-5H3
InChIKeySMCRAUABQCJLQC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.00
Rot. Bonds6

About 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 70847455) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID70847455
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(CC(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-13-8-6-9-14(16-13)18-11-7-10-17(4)5/h6,8-9H,7,10-12H2,1-5H3
InChIKeySMCRAUABQCJLQC-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
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 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 70847455) is 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cccc(CC(C)(C)C)n1.
What is the InChIKey of 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is SMCRAUABQCJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)12-13-8-6-9-14(16-13)18-11-7-10-17(4)5/h6,8-9H,7,10-12H2,1-5H3.
What are the key properties of 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 70847455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).