1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine

C16H26N2O — CID 62600579

IUPAC1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccccn1)CC1CCOCC1
InChIInChI=1S/C16H26N2O/c1-2-8-17-16(12-14-6-10-19-11-7-14)13-15-5-3-4-9-18-15/h3-5,9,14,16-17H,2,6-8,10-13H2,1H3
InChIKeyHNGATYNYOKEZED-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds7

About 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine

1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine (PubChem CID 62600579) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
PubChem CID62600579
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccccn1)CC1CCOCC1
InChIInChI=1S/C16H26N2O/c1-2-8-17-16(12-14-6-10-19-11-7-14)13-15-5-3-4-9-18-15/h3-5,9,14,16-17H,2,6-8,10-13H2,1H3
InChIKeyHNGATYNYOKEZED-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
4-methyl-N-propyl-1-pyridin-2-ylhexan-2-amine
CID 62600384
1-cyclopropyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446508
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(2-methylphenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 60818337
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103164338

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine (CID 62600579) is 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine is CCCNC(Cc1ccccn1)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
The InChIKey is HNGATYNYOKEZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-8-17-16(12-14-6-10-19-11-7-14)13-15-5-3-4-9-18-15/h3-5,9,14,16-17H,2,6-8,10-13H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.81, 7 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-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 62600579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).