2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine

C13H30N2O2 — CID 79815147

IUPAC2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine
SMILESCCC(N)(CC)CN(CCCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-5-13(14,6-2)12-15(9-11-17-4)8-7-10-16-3/h5-12,14H2,1-4H3
InChIKeyWOKDZHMLXPNRQW-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.49
Rot. Bonds11

About 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine

2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine (PubChem CID 79815147) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine
PubChem CID79815147
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine
SMILESCCC(N)(CC)CN(CCCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-5-13(14,6-2)12-15(9-11-17-4)8-7-10-16-3/h5-12,14H2,1-4H3
InChIKeyWOKDZHMLXPNRQW-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine (CID 79815147) is 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine is CCC(N)(CC)CN(CCCOC)CCOC.
What is the InChIKey of 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine?
The InChIKey is WOKDZHMLXPNRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-13(14,6-2)12-15(9-11-17-4)8-7-10-16-3/h5-12,14H2,1-4H3.
What are the key properties of 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine?
2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine is sourced from PubChem (CID 79815147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).