3-(propoxymethoxy)propan-1-amine

C7H17NO2 — CID 87914264

IUPAC3-(propoxymethoxy)propan-1-amine
SMILESCCCOCOCCCN
InChIInChI=1S/C7H17NO2/c1-2-5-9-7-10-6-3-4-8/h2-8H2,1H3
InChIKeySWUFJELMLHFERU-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.74
Rot. Bonds7

About 3-(propoxymethoxy)propan-1-amine

3-(propoxymethoxy)propan-1-amine (PubChem CID 87914264) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-(propoxymethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(propoxymethoxy)propan-1-amine
PubChem CID87914264
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name3-(propoxymethoxy)propan-1-amine
SMILESCCCOCOCCCN
InChIInChI=1S/C7H17NO2/c1-2-5-9-7-10-6-3-4-8/h2-8H2,1H3
InChIKeySWUFJELMLHFERU-UHFFFAOYSA-N
XLogP0.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(propylperoxymethoxy)propan-1-amine
CID 170060757
2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide
CID 158068690
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
3-(tributylstannylmethoxymethoxy)propan-1-amine
CID 175081278
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
1-ethoxypropane;pentan-1-amine
CID 174936602
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
lithium 1-(propoxymethoxy)pentane
CID 172535115

Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethoxy)propan-1-amine?
The IUPAC name of 3-(propoxymethoxy)propan-1-amine (CID 87914264) is 3-(propoxymethoxy)propan-1-amine.
What is the SMILES notation for 3-(propoxymethoxy)propan-1-amine?
The canonical SMILES for 3-(propoxymethoxy)propan-1-amine is CCCOCOCCCN.
What is the InChIKey of 3-(propoxymethoxy)propan-1-amine?
The InChIKey is SWUFJELMLHFERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-5-9-7-10-6-3-4-8/h2-8H2,1H3.
What are the key properties of 3-(propoxymethoxy)propan-1-amine?
3-(propoxymethoxy)propan-1-amine has a molecular weight of 147.22 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethoxy)propan-1-amine is sourced from PubChem (CID 87914264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).