3-(2-propoxyethoxy)-N-propyloxan-4-amine

C13H27NO3 — CID 55234053

IUPAC3-(2-propoxyethoxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OCCOCCC
InChIInChI=1S/C13H27NO3/c1-3-6-14-12-5-8-16-11-13(12)17-10-9-15-7-4-2/h12-14H,3-11H2,1-2H3
InChIKeyMLKNEDHLUDZLCE-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds9

About 3-(2-propoxyethoxy)-N-propyloxan-4-amine

3-(2-propoxyethoxy)-N-propyloxan-4-amine (PubChem CID 55234053) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 3-(2-propoxyethoxy)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(2-propoxyethoxy)-N-propyloxan-4-amine
PubChem CID55234053
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name3-(2-propoxyethoxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OCCOCCC
InChIInChI=1S/C13H27NO3/c1-3-6-14-12-5-8-16-11-13(12)17-10-9-15-7-4-2/h12-14H,3-11H2,1-2H3
InChIKeyMLKNEDHLUDZLCE-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
CID 66232235
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 63685078
3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine
CID 64744544
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol
CID 104564775
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114019019
3-bromo-4-(2-propoxyethoxy)oxolane
CID 114774160
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455
2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
CID 103401822
2-methyl-N-(3-propoxypropyl)oxolan-3-amine
CID 82940328
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethoxy)-N-propyloxan-4-amine?
The IUPAC name of 3-(2-propoxyethoxy)-N-propyloxan-4-amine (CID 55234053) is 3-(2-propoxyethoxy)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(2-propoxyethoxy)-N-propyloxan-4-amine?
The canonical SMILES for 3-(2-propoxyethoxy)-N-propyloxan-4-amine is CCCNC1CCOCC1OCCOCCC.
What is the InChIKey of 3-(2-propoxyethoxy)-N-propyloxan-4-amine?
The InChIKey is MLKNEDHLUDZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-6-14-12-5-8-16-11-13(12)17-10-9-15-7-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(2-propoxyethoxy)-N-propyloxan-4-amine?
3-(2-propoxyethoxy)-N-propyloxan-4-amine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethoxy)-N-propyloxan-4-amine is sourced from PubChem (CID 55234053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).