methanamine;methoxymethane;pentanedial

C8H19NO3 — CID 143705104

IUPACmethanamine;methoxymethane;pentanedial
SMILESCN.COC.O=CCCCC=O
InChIInChI=1S/C5H8O2.C2H6O.CH5N/c6-4-2-1-3-5-7;1-3-2;1-2/h4-5H,1-3H2;1-2H3;2H2,1H3
InChIKeyBWHGJYJMNOCVLO-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.39
Rot. Bonds4

About methanamine;methoxymethane;pentanedial

methanamine;methoxymethane;pentanedial (PubChem CID 143705104) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is methanamine;methoxymethane;pentanedial.

Molecular Properties

Compound Namemethanamine;methoxymethane;pentanedial
PubChem CID143705104
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Namemethanamine;methoxymethane;pentanedial
SMILESCN.COC.O=CCCCC=O
InChIInChI=1S/C5H8O2.C2H6O.CH5N/c6-4-2-1-3-5-7;1-3-2;1-2/h4-5H,1-3H2;1-2H3;2H2,1H3
InChIKeyBWHGJYJMNOCVLO-UHFFFAOYSA-N
XLogP0.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.39
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'}

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Related Compounds

hydrazine;pentanedial
CID 19882033
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
butanal;pentanedial
CID 87991120
4-methylperoxybutanal
CID 175414440
4-aminobutanal;ethane
CID 91518862
cyanamide;pentanedial
CID 174727970
pentadecanedial
CID 22887412
ethyl carbonochloridate;pentanedial
CID 22320045
N-methoxy-5-oxopentanamide
CID 91086399
(Z)-hept-5-enal
CID 12625719
ruthenium;tridecanal
CID 175429355

Frequently Asked Questions

What is the IUPAC name of methanamine;methoxymethane;pentanedial?
The IUPAC name of methanamine;methoxymethane;pentanedial (CID 143705104) is methanamine;methoxymethane;pentanedial.
What is the SMILES notation for methanamine;methoxymethane;pentanedial?
The canonical SMILES for methanamine;methoxymethane;pentanedial is CN.COC.O=CCCCC=O.
What is the InChIKey of methanamine;methoxymethane;pentanedial?
The InChIKey is BWHGJYJMNOCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H6O.CH5N/c6-4-2-1-3-5-7;1-3-2;1-2/h4-5H,1-3H2;1-2H3;2H2,1H3.
What are the key properties of methanamine;methoxymethane;pentanedial?
methanamine;methoxymethane;pentanedial has a molecular weight of 177.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methoxymethane;pentanedial is sourced from PubChem (CID 143705104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).