1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine

C14H22N2O — CID 79795250

IUPAC1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCCC2CC2)cn1
InChIInChI=1S/C14H22N2O/c1-2-12(15)9-13-5-6-14(10-16-13)17-8-7-11-3-4-11/h5-6,10-12H,2-4,7-9,15H2,1H3
InChIKeyRJNAHKPBXHYASP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.54
Rot. Bonds7

About 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine

1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine (PubChem CID 79795250) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
PubChem CID79795250
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCCC2CC2)cn1
InChIInChI=1S/C14H22N2O/c1-2-12(15)9-13-5-6-14(10-16-13)17-8-7-11-3-4-11/h5-6,10-12H,2-4,7-9,15H2,1H3
InChIKeyRJNAHKPBXHYASP-UHFFFAOYSA-N
XLogP2.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413
1-[5-(cyclobutylmethoxy)-2-pyridinyl]butan-2-amine
CID 79795847
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine
CID 79796421
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
1-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79796010
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
CID 114012794
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 79796345
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
CID 79795412

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine (CID 79795250) is 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(OCCC2CC2)cn1.
What is the InChIKey of 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine?
The InChIKey is RJNAHKPBXHYASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-12(15)9-13-5-6-14(10-16-13)17-8-7-11-3-4-11/h5-6,10-12H,2-4,7-9,15H2,1H3.
What are the key properties of 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine?
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine has a molecular weight of 234.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).