1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine

C12H28N2O2 — CID 64681196

IUPAC1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine
SMILESCOCCCN(CCOC)CCC(C)(C)N
InChIInChI=1S/C12H28N2O2/c1-12(2,13)6-8-14(9-11-16-4)7-5-10-15-3/h5-11,13H2,1-4H3
InChIKeyFNSXJBLQQIASTI-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.10
Rot. Bonds10

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

1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine (PubChem CID 64681196) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine
PubChem CID64681196
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine
SMILESCOCCCN(CCOC)CCC(C)(C)N
InChIInChI=1S/C12H28N2O2/c1-12(2,13)6-8-14(9-11-16-4)7-5-10-15-3/h5-11,13H2,1-4H3
InChIKeyFNSXJBLQQIASTI-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.10
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 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine (CID 64681196) is 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine is COCCCN(CCOC)CCC(C)(C)N.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine?
The InChIKey is FNSXJBLQQIASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2,13)6-8-14(9-11-16-4)7-5-10-15-3/h5-11,13H2,1-4H3.
What are the key properties of 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine?
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 64681196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).