1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine

C14H24N2O — CID 114012794

IUPAC1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
SMILESCCCC(C)Oc1ccc(CC(N)CC)nc1
InChIInChI=1S/C14H24N2O/c1-4-6-11(3)17-14-8-7-13(16-10-14)9-12(15)5-2/h7-8,10-12H,4-6,9,15H2,1-3H3
InChIKeyKIKKIRLIJYUJLE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.93
Rot. Bonds7

About 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine

1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine (PubChem CID 114012794) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
PubChem CID114012794
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
SMILESCCCC(C)Oc1ccc(CC(N)CC)nc1
InChIInChI=1S/C14H24N2O/c1-4-6-11(3)17-14-8-7-13(16-10-14)9-12(15)5-2/h7-8,10-12H,4-6,9,15H2,1-3H3
InChIKeyKIKKIRLIJYUJLE-UHFFFAOYSA-N
XLogP2.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
CID 79795412
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79795171
5-hexan-2-yloxypyridin-2-amine
CID 169188351
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
CID 79795250
1-[5-(cyclobutylmethoxy)-2-pyridinyl]butan-2-amine
CID 79795847
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904

Frequently Asked Questions

What is the IUPAC name of 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine?
The IUPAC name of 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine (CID 114012794) is 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine is CCCC(C)Oc1ccc(CC(N)CC)nc1.
What is the InChIKey of 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine?
The InChIKey is KIKKIRLIJYUJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-11(3)17-14-8-7-13(16-10-14)9-12(15)5-2/h7-8,10-12H,4-6,9,15H2,1-3H3.
What are the key properties of 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine?
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 114012794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).