N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine

C14H20N2O — CID 79794973

IUPACN-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESC#CCCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C14H20N2O/c1-5-6-9-17-13-8-7-12(15-11-13)10-16-14(2,3)4/h1,7-8,11,16H,6,9-10H2,2-4H3
InChIKeyOPWSXTYQHWFIKF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.37
Rot. Bonds5

About N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 79794973) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID79794973
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESC#CCCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C14H20N2O/c1-5-6-9-17-13-8-7-12(15-11-13)10-16-14(2,3)4/h1,7-8,11,16H,6,9-10H2,2-4H3
InChIKeyOPWSXTYQHWFIKF-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
5-but-3-ynoxy-2-methylpyridine
CID 130668166
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79784063
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79784061
2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999863
N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine
CID 79776395
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 106704714

Frequently Asked Questions

What is the IUPAC name of N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine (CID 79794973) is N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine is C#CCCOc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is OPWSXTYQHWFIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-6-9-17-13-8-7-12(15-11-13)10-16-14(2,3)4/h1,7-8,11,16H,6,9-10H2,2-4H3.
What are the key properties of N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79794973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).