1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine

C14H31NO4 — CID 173191840

IUPAC1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine
SMILESCCCCOC(NC(OCC)OCCCC)OCC
InChIInChI=1S/C14H31NO4/c1-5-9-11-18-13(16-7-3)15-14(17-8-4)19-12-10-6-2/h13-15H,5-12H2,1-4H3
InChIKeyZHJMITXLGFJAGL-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.85
Rot. Bonds14

About 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine

1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine (PubChem CID 173191840) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine.

Molecular Properties

Compound Name1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine
PubChem CID173191840
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Name1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine
SMILESCCCCOC(NC(OCC)OCCCC)OCC
InChIInChI=1S/C14H31NO4/c1-5-9-11-18-13(16-7-3)15-14(17-8-4)19-12-10-6-2/h13-15H,5-12H2,1-4H3
InChIKeyZHJMITXLGFJAGL-UHFFFAOYSA-N
XLogP2.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(diethoxymethyl)-1,1-diethoxymethanamine
CID 54336091
1-(1,3,3-triethoxypropoxy)butane
CID 139631124
1,1,4,4-tetrabutoxybutane
CID 139887225
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1-butoxy-N-methylethanamine;ethane
CID 144998639
1-decoxy-N-(1-decoxyethyl)ethanamine
CID 173191939
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
1-pentoxyethanamine
CID 57262541
2-butoxy-N-ethylpropan-1-amine
CID 62449884
1,1-dibutoxyoctane
CID 54557001
magnesium;1-(1-butoxyethoxy)butane;silanide;hydrochloride
CID 174595954

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine?
The IUPAC name of 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine (CID 173191840) is 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine.
What is the SMILES notation for 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine?
The canonical SMILES for 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine is CCCCOC(NC(OCC)OCCCC)OCC.
What is the InChIKey of 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine?
The InChIKey is ZHJMITXLGFJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4/c1-5-9-11-18-13(16-7-3)15-14(17-8-4)19-12-10-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine?
1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine has a molecular weight of 277.40 g/mol, XLogP of 2.85, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine is sourced from PubChem (CID 173191840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).