1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine

C17H28N2O — CID 105138737

IUPAC1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1ccncc1)CC1CCOCC1
InChIInChI=1S/C17H28N2O/c1-2-9-19-17(14-16-7-12-20-13-8-16)4-3-15-5-10-18-11-6-15/h5-6,10-11,16-17,19H,2-4,7-9,12-14H2,1H3
InChIKeyRYAUFSXCFNWBHL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.20
Rot. Bonds8

About 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine

1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 105138737) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
PubChem CID105138737
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1ccncc1)CC1CCOCC1
InChIInChI=1S/C17H28N2O/c1-2-9-19-17(14-16-7-12-20-13-8-16)4-3-15-5-10-18-11-6-15/h5-6,10-11,16-17,19H,2-4,7-9,12-14H2,1H3
InChIKeyRYAUFSXCFNWBHL-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
N-propyl-1-pyridin-4-ylhept-6-yn-3-amine
CID 105149151
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 62600579
1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
CID 79092648
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine (CID 105138737) is 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine is CCCNC(CCc1ccncc1)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is RYAUFSXCFNWBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-9-19-17(14-16-7-12-20-13-8-16)4-3-15-5-10-18-11-6-15/h5-6,10-11,16-17,19H,2-4,7-9,12-14H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).