N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine

C8H20N2O — CID 3019741

IUPACN-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOCCNCCCN(C)C
InChIInChI=1S/C8H20N2O/c1-10(2)7-4-5-9-6-8-11-3/h9H,4-8H2,1-3H3
InChIKeyZRBJURRZDDZZAK-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.17
Rot. Bonds7

About N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine

N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 3019741) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID3019741
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOCCNCCCN(C)C
InChIInChI=1S/C8H20N2O/c1-10(2)7-4-5-9-6-8-11-3/h9H,4-8H2,1-3H3
InChIKeyZRBJURRZDDZZAK-UHFFFAOYSA-N
XLogP0.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine (CID 3019741) is N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine is COCCNCCCN(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ZRBJURRZDDZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-10(2)7-4-5-9-6-8-11-3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 3019741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).