1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane

C12H26N2O2 — CID 103414508

IUPAC1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
SMILESCOCCOCCCN1CCNCCC1C
InChIInChI=1S/C12H26N2O2/c1-12-4-5-13-6-8-14(12)7-3-9-16-11-10-15-2/h12-13H,3-11H2,1-2H3
InChIKeyREYKMWSCTBRRAH-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane

1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane (PubChem CID 103414508) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
PubChem CID103414508
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
SMILESCOCCOCCCN1CCNCCC1C
InChIInChI=1S/C12H26N2O2/c1-12-4-5-13-6-8-14(12)7-3-9-16-11-10-15-2/h12-13H,3-11H2,1-2H3
InChIKeyREYKMWSCTBRRAH-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
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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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-2-methylpiperazine
CID 103410154
7-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepane
CID 64870390
1-(3-methoxypropyl)-2-methylpiperazine
CID 62674205
1-hexyl-7-methyl-1,4-diazepane
CID 64870586
2-cyclohexyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414076
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
1-[3-(2-methoxyethoxy)propyl]-6-methylpiperidin-3-amine
CID 103411737
4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
CID 82243837
7-methyl-1-(3-methylbutyl)-1,4-diazepane
CID 64870978
1-[3-(2-methoxyethoxy)propyl]piperazin-2-one
CID 103412181
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane (CID 103414508) is 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane is COCCOCCCN1CCNCCC1C.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane?
The InChIKey is REYKMWSCTBRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12-4-5-13-6-8-14(12)7-3-9-16-11-10-15-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane?
1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane has a molecular weight of 230.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane is sourced from PubChem (CID 103414508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).