4-[(3-methoxypropylamino)methoxy]butanal

C9H19NO3 — CID 88897829

IUPAC4-[(3-methoxypropylamino)methoxy]butanal
SMILESCOCCCNCOCCCC=O
InChIInChI=1S/C9H19NO3/c1-12-7-4-5-10-9-13-8-3-2-6-11/h6,10H,2-5,7-9H2,1H3
InChIKeyFYOXTXHJSXWVAR-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.57
Rot. Bonds10

About 4-[(3-methoxypropylamino)methoxy]butanal

4-[(3-methoxypropylamino)methoxy]butanal (PubChem CID 88897829) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-[(3-methoxypropylamino)methoxy]butanal.

Molecular Properties

Compound Name4-[(3-methoxypropylamino)methoxy]butanal
PubChem CID88897829
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-[(3-methoxypropylamino)methoxy]butanal
SMILESCOCCCNCOCCCC=O
InChIInChI=1S/C9H19NO3/c1-12-7-4-5-10-9-13-8-3-2-6-11/h6,10H,2-5,7-9H2,1H3
InChIKeyFYOXTXHJSXWVAR-UHFFFAOYSA-N
XLogP0.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

6-[2-(2-methoxyethoxy)ethoxy]hexanal
CID 58413687
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 58331196
4-methylperoxybutanal
CID 175414440
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
CID 65023754
3-methoxypropanal;titanium
CID 87154259
3-chloro-4-methoxy-N-(3-methoxypropyl)butan-1-amine
CID 106242334
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
CID 103178884

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypropylamino)methoxy]butanal?
The IUPAC name of 4-[(3-methoxypropylamino)methoxy]butanal (CID 88897829) is 4-[(3-methoxypropylamino)methoxy]butanal.
What is the SMILES notation for 4-[(3-methoxypropylamino)methoxy]butanal?
The canonical SMILES for 4-[(3-methoxypropylamino)methoxy]butanal is COCCCNCOCCCC=O.
What is the InChIKey of 4-[(3-methoxypropylamino)methoxy]butanal?
The InChIKey is FYOXTXHJSXWVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-12-7-4-5-10-9-13-8-3-2-6-11/h6,10H,2-5,7-9H2,1H3.
What are the key properties of 4-[(3-methoxypropylamino)methoxy]butanal?
4-[(3-methoxypropylamino)methoxy]butanal has a molecular weight of 189.25 g/mol, XLogP of 0.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypropylamino)methoxy]butanal is sourced from PubChem (CID 88897829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).