1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane

C13H28N2O2 — CID 64871190

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane
SMILESCOCCOCCN1CC(C)(C)NCCC1C
InChIInChI=1S/C13H28N2O2/c1-12-5-6-14-13(2,3)11-15(12)7-8-17-10-9-16-4/h12,14H,5-11H2,1-4H3
InChIKeySAFFBSRUYXNBTA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane

1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane (PubChem CID 64871190) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane
PubChem CID64871190
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane
SMILESCOCCOCCN1CC(C)(C)NCCC1C
InChIInChI=1S/C13H28N2O2/c1-12-5-6-14-13(2,3)11-15(12)7-8-17-10-9-16-4/h12,14H,5-11H2,1-4H3
InChIKeySAFFBSRUYXNBTA-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
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-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane (CID 64871190) is 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane is COCCOCCN1CC(C)(C)NCCC1C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane?
The InChIKey is SAFFBSRUYXNBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12-5-6-14-13(2,3)11-15(12)7-8-17-10-9-16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane?
1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane has a molecular weight of 244.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane is sourced from PubChem (CID 64871190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).