4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine

C9H22N2O2 — CID 62541493

IUPAC4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
SMILESCOCCNC(C)(CN)CCOC
InChIInChI=1S/C9H22N2O2/c1-9(8-10,4-6-12-2)11-5-7-13-3/h11H,4-8,10H2,1-3H3
InChIKeyZKVGPBWNBNBPNE-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.02
Rot. Bonds8

About 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine

4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine (PubChem CID 62541493) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
PubChem CID62541493
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
SMILESCOCCNC(C)(CN)CCOC
InChIInChI=1S/C9H22N2O2/c1-9(8-10,4-6-12-2)11-5-7-13-3/h11H,4-8,10H2,1-3H3
InChIKeyZKVGPBWNBNBPNE-UHFFFAOYSA-N
XLogP-0.02
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
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 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine (CID 62541493) is 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine is COCCNC(C)(CN)CCOC.
What is the InChIKey of 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The InChIKey is ZKVGPBWNBNBPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-9(8-10,4-6-12-2)11-5-7-13-3/h11H,4-8,10H2,1-3H3.
What are the key properties of 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 62541493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).