2-N-ethyl-4,4-dimethoxybutane-1,2-diamine

C8H20N2O2 — CID 66268053

IUPAC2-N-ethyl-4,4-dimethoxybutane-1,2-diamine
SMILESCCNC(CN)CC(OC)OC
InChIInChI=1S/C8H20N2O2/c1-4-10-7(6-9)5-8(11-2)12-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeySLUADJOLWNSGCC-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.07
Rot. Bonds7

About 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine

2-N-ethyl-4,4-dimethoxybutane-1,2-diamine (PubChem CID 66268053) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4,4-dimethoxybutane-1,2-diamine
PubChem CID66268053
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2-N-ethyl-4,4-dimethoxybutane-1,2-diamine
SMILESCCNC(CN)CC(OC)OC
InChIInChI=1S/C8H20N2O2/c1-4-10-7(6-9)5-8(11-2)12-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeySLUADJOLWNSGCC-UHFFFAOYSA-N
XLogP-0.07
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine (CID 66268053) is 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine is CCNC(CN)CC(OC)OC.
What is the InChIKey of 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine?
The InChIKey is SLUADJOLWNSGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-4-10-7(6-9)5-8(11-2)12-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine?
2-N-ethyl-4,4-dimethoxybutane-1,2-diamine has a molecular weight of 176.26 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4,4-dimethoxybutane-1,2-diamine is sourced from PubChem (CID 66268053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).