2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine

C13H27NO2 — CID 107136389

IUPAC2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCCOC1)C(C)OCC
InChIInChI=1S/C13H27NO2/c1-4-8-14-13(11(3)16-5-2)12-7-6-9-15-10-12/h11-14H,4-10H2,1-3H3
InChIKeyLTNNOPCDNNGDKJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine

2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine (PubChem CID 107136389) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
PubChem CID107136389
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCCOC1)C(C)OCC
InChIInChI=1S/C13H27NO2/c1-4-8-14-13(11(3)16-5-2)12-7-6-9-15-10-12/h11-14H,4-10H2,1-3H3
InChIKeyLTNNOPCDNNGDKJ-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
CID 107138713
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
2-methoxy-N-methyl-1-(oxan-3-yl)propan-1-amine
CID 107136651

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine (CID 107136389) is 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine is CCCNC(C1CCCOC1)C(C)OCC.
What is the InChIKey of 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine?
The InChIKey is LTNNOPCDNNGDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-8-14-13(11(3)16-5-2)12-7-6-9-15-10-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine?
2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107136389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).