4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine

C13H30N2O4 — CID 66268426

IUPAC4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)CC(OC)OC
InChIInChI=1S/C13H30N2O4/c1-16-8-5-6-15(7-9-17-2)12(11-14)10-13(18-3)19-4/h12-13H,5-11,14H2,1-4H3
InChIKeyCCFVXRWENAQPLJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP0.31
Rot. Bonds13

About 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine

4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine (PubChem CID 66268426) has the molecular formula C13H30N2O4 and a molecular weight of 278.39 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
PubChem CID66268426
Molecular FormulaC13H30N2O4
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)CC(OC)OC
InChIInChI=1S/C13H30N2O4/c1-16-8-5-6-15(7-9-17-2)12(11-14)10-13(18-3)19-4/h12-13H,5-11,14H2,1-4H3
InChIKeyCCFVXRWENAQPLJ-UHFFFAOYSA-N
XLogP0.31
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine (CID 66268426) is 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine is COCCCN(CCOC)C(CN)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine?
The InChIKey is CCFVXRWENAQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O4/c1-16-8-5-6-15(7-9-17-2)12(11-14)10-13(18-3)19-4/h12-13H,5-11,14H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine?
4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine has a molecular weight of 278.39 g/mol, XLogP of 0.31, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine is sourced from PubChem (CID 66268426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).