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

C15H29NO2 — CID 65332426

IUPAC1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)C1CCCOC1
InChIInChI=1S/C15H29NO2/c1-2-9-16-15(13-5-3-10-17-12-13)8-7-14-6-4-11-18-14/h13-16H,2-12H2,1H3
InChIKeyJOFVMZCUMFUDSA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds7

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

1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 65332426) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID65332426
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)C1CCCOC1
InChIInChI=1S/C15H29NO2/c1-2-9-16-15(13-5-3-10-17-12-13)8-7-14-6-4-11-18-14/h13-16H,2-12H2,1H3
InChIKeyJOFVMZCUMFUDSA-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 65332426) is 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is JOFVMZCUMFUDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-9-16-15(13-5-3-10-17-12-13)8-7-14-6-4-11-18-14/h13-16H,2-12H2,1H3.
What are the key properties of 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65332426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).