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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Related Compounds

N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
CID 64593617
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
CID 66232512
[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
CID 66234998
3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 175720817
6-[3-(dimethylamino)propoxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 61104417
N-butyl-6-[2-(dimethylamino)ethoxy]pyridin-2-amine
CID 3031404
3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62295963
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233

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).