1-(5-propoxy-2-pyridinyl)butan-2-amine

C12H20N2O — CID 79795245

IUPAC1-(5-propoxy-2-pyridinyl)butan-2-amine
SMILESCCCOc1ccc(CC(N)CC)nc1
InChIInChI=1S/C12H20N2O/c1-3-7-15-12-6-5-11(14-9-12)8-10(13)4-2/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyNKYZDRGKDSNYPV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds6

About 1-(5-propoxy-2-pyridinyl)butan-2-amine

1-(5-propoxy-2-pyridinyl)butan-2-amine (PubChem CID 79795245) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(5-propoxy-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-propoxy-2-pyridinyl)butan-2-amine
PubChem CID79795245
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(5-propoxy-2-pyridinyl)butan-2-amine
SMILESCCCOc1ccc(CC(N)CC)nc1
InChIInChI=1S/C12H20N2O/c1-3-7-15-12-6-5-11(14-9-12)8-10(13)4-2/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyNKYZDRGKDSNYPV-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
CID 79795250
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
CID 114012794
1-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79796010
1-[5-(cyclobutylmethoxy)-2-pyridinyl]butan-2-amine
CID 79795847
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
CID 79795412

Frequently Asked Questions

What is the IUPAC name of 1-(5-propoxy-2-pyridinyl)butan-2-amine?
The IUPAC name of 1-(5-propoxy-2-pyridinyl)butan-2-amine (CID 79795245) is 1-(5-propoxy-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(5-propoxy-2-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(5-propoxy-2-pyridinyl)butan-2-amine is CCCOc1ccc(CC(N)CC)nc1.
What is the InChIKey of 1-(5-propoxy-2-pyridinyl)butan-2-amine?
The InChIKey is NKYZDRGKDSNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-7-15-12-6-5-11(14-9-12)8-10(13)4-2/h5-6,9-10H,3-4,7-8,13H2,1-2H3.
What are the key properties of 1-(5-propoxy-2-pyridinyl)butan-2-amine?
1-(5-propoxy-2-pyridinyl)butan-2-amine has a molecular weight of 208.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxy-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 79795245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).