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

C13H30N2O2 — CID 54985631

IUPAC1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine
SMILESCOCCCN(CCOC)CC(N)C(C)(C)C
InChIInChI=1S/C13H30N2O2/c1-13(2,3)12(14)11-15(8-10-17-5)7-6-9-16-4/h12H,6-11,14H2,1-5H3
InChIKeyIUADEEJUZFLUQP-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.34
Rot. Bonds9

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

1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine (PubChem CID 54985631) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine
PubChem CID54985631
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine
SMILESCOCCCN(CCOC)CC(N)C(C)(C)C
InChIInChI=1S/C13H30N2O2/c1-13(2,3)12(14)11-15(8-10-17-5)7-6-9-16-4/h12H,6-11,14H2,1-5H3
InChIKeyIUADEEJUZFLUQP-UHFFFAOYSA-N
XLogP1.34
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.34
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)-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine (CID 54985631) is 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine is COCCCN(CCOC)CC(N)C(C)(C)C.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine?
The InChIKey is IUADEEJUZFLUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-13(2,3)12(14)11-15(8-10-17-5)7-6-9-16-4/h12H,6-11,14H2,1-5H3.
What are the key properties of 1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine?
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3,3-dimethylbutane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.34, 9 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)-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 54985631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).