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

C15H29NO2 — CID 115856676

IUPAC3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)C1CCOC1
InChIInChI=1S/C15H29NO2/c1-2-9-16-15(13-8-11-17-12-13)7-6-14-5-3-4-10-18-14/h13-16H,2-12H2,1H3
InChIKeyJXIPTYBQCYBRFH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds7

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

3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine (PubChem CID 115856676) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
PubChem CID115856676
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)C1CCOC1
InChIInChI=1S/C15H29NO2/c1-2-9-16-15(13-8-11-17-12-13)7-6-14-5-3-4-10-18-14/h13-16H,2-12H2,1H3
InChIKeyJXIPTYBQCYBRFH-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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Related Compounds

1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115998319
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine
CID 104748775
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine
CID 105004924
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine (CID 115856676) is 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCCO1)C1CCOC1.
What is the InChIKey of 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The InChIKey is JXIPTYBQCYBRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-9-16-15(13-8-11-17-12-13)7-6-14-5-3-4-10-18-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
3-(oxan-2-yl)-1-(oxolan-3-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 3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 115856676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).