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

C14H30N2O2 — CID 103414496

IUPAC3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(CCCOCCOC)CCCN1
InChIInChI=1S/C14H30N2O2/c1-4-14(2)13-16(8-5-7-15-14)9-6-10-18-12-11-17-3/h15H,4-13H2,1-3H3
InChIKeyOMOZJVWEKYVHCQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds8

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

3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane (PubChem CID 103414496) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane
PubChem CID103414496
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(CCCOCCOC)CCCN1
InChIInChI=1S/C14H30N2O2/c1-4-14(2)13-16(8-5-7-15-14)9-6-10-18-12-11-17-3/h15H,4-13H2,1-3H3
InChIKeyOMOZJVWEKYVHCQ-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
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-(2-butoxyethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64870534
3-ethyl-3-methyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458861
10-[3-(2-methoxyethoxy)propyl]-6,10-diazaspiro[4.6]undecane
CID 103414486
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine
CID 64925802
1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
CID 103414045
3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine
CID 106458469
1-(2-butoxyethyl)-3,3-dimethyl-1,4-diazepane
CID 64870671
3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
CID 64948758
8-ethyl-6-[3-(2-methoxyethoxy)propyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 103414307
1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane
CID 114102110
1-(3,3-dimethylbutyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64871131
3-ethyl-3-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,4-diazepane
CID 114516842

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane?
The IUPAC name of 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane (CID 103414496) is 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane is CCC1(C)CN(CCCOCCOC)CCCN1.
What is the InChIKey of 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane?
The InChIKey is OMOZJVWEKYVHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-14(2)13-16(8-5-7-15-14)9-6-10-18-12-11-17-3/h15H,4-13H2,1-3H3.
What are the key properties of 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane?
3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane has a molecular weight of 258.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane is sourced from PubChem (CID 103414496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).