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

C13H26N2O2 — CID 64872115

IUPAC3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
SMILESCOCCOCCN1CCCNC(C2CC2)C1
InChIInChI=1S/C13H26N2O2/c1-16-9-10-17-8-7-15-6-2-5-14-13(11-15)12-3-4-12/h12-14H,2-11H2,1H3
InChIKeyGQMRGLZGSCUDKF-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds7

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

3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane (PubChem CID 64872115) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
PubChem CID64872115
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
SMILESCOCCOCCN1CCCNC(C2CC2)C1
InChIInChI=1S/C13H26N2O2/c1-16-9-10-17-8-7-15-6-2-5-14-13(11-15)12-3-4-12/h12-14H,2-11H2,1H3
InChIKeyGQMRGLZGSCUDKF-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
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

6-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 104563880
(4aS,7aS)-6-[3-(2-methoxyethoxy)propyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103411168
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190
3-cyclohexyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64872103
(3aS,6aS)-5-[3-(2-methoxyethoxy)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 103414035
1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
CID 64951588
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)-1,4-diazepane
CID 103414477
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567095
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
(3aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 166655921

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane (CID 64872115) is 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane is COCCOCCN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane?
The InChIKey is GQMRGLZGSCUDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-16-9-10-17-8-7-15-6-2-5-14-13(11-15)12-3-4-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane?
3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane has a molecular weight of 242.36 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 3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane is sourced from PubChem (CID 64872115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).