1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane

C16H34N2O3 — CID 104567944

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
SMILESCOCCOCCOCCN1CC(C(C)C)NCCC1C
InChIInChI=1S/C16H34N2O3/c1-14(2)16-13-18(15(3)5-6-17-16)7-8-20-11-12-21-10-9-19-4/h14-17H,5-13H2,1-4H3
InChIKeyILWQMFBLEGDCNR-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.37
Rot. Bonds10

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane (PubChem CID 104567944) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
PubChem CID104567944
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
SMILESCOCCOCCOCCN1CC(C(C)C)NCCC1C
InChIInChI=1S/C16H34N2O3/c1-14(2)16-13-18(15(3)5-6-17-16)7-8-20-11-12-21-10-9-19-4/h14-17H,5-13H2,1-4H3
InChIKeyILWQMFBLEGDCNR-UHFFFAOYSA-N
XLogP1.37
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 64870356
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-7-methyl-1,4-diazepane
CID 103184619
3-cyclopropyl-7-methyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64871414
5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-2-methylpiperazine
CID 64862014
7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
CID 64870549
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane
CID 64871190
7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733370
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
1-(4-methoxybutyl)-3-propan-2-yl-1,4-diazepane
CID 64949735
1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
CID 103414508

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane (CID 104567944) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane is COCCOCCOCCN1CC(C(C)C)NCCC1C.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane?
The InChIKey is ILWQMFBLEGDCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-14(2)16-13-18(15(3)5-6-17-16)7-8-20-11-12-21-10-9-19-4/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane has a molecular weight of 302.46 g/mol, XLogP of 1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 104567944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).