1-(2-methoxyethyl)-4-propyl-1,4-diazepane

C11H24N2O — CID 157028655

IUPAC1-(2-methoxyethyl)-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(CCOC)CC1
InChIInChI=1S/C11H24N2O/c1-3-5-12-6-4-7-13(9-8-12)10-11-14-2/h3-11H2,1-2H3
InChIKeyFJWRXKWHBGMKSA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.05
Rot. Bonds5

About 1-(2-methoxyethyl)-4-propyl-1,4-diazepane

1-(2-methoxyethyl)-4-propyl-1,4-diazepane (PubChem CID 157028655) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-propyl-1,4-diazepane
PubChem CID157028655
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(2-methoxyethyl)-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(CCOC)CC1
InChIInChI=1S/C11H24N2O/c1-3-5-12-6-4-7-13(9-8-12)10-11-14-2/h3-11H2,1-2H3
InChIKeyFJWRXKWHBGMKSA-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)azocane
CID 47014834
1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane
CID 64587097
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
1-propylpyrrolidine;hydrobromide
CID 173024709
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-(bromomethylsulfonyl)-4-(2-methoxyethyl)-1,4-diazepane
CID 83083609
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-propyl-1,4-diazepane?
The IUPAC name of 1-(2-methoxyethyl)-4-propyl-1,4-diazepane (CID 157028655) is 1-(2-methoxyethyl)-4-propyl-1,4-diazepane.
What is the SMILES notation for 1-(2-methoxyethyl)-4-propyl-1,4-diazepane?
The canonical SMILES for 1-(2-methoxyethyl)-4-propyl-1,4-diazepane is CCCN1CCCN(CCOC)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-propyl-1,4-diazepane?
The InChIKey is FJWRXKWHBGMKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-5-12-6-4-7-13(9-8-12)10-11-14-2/h3-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-propyl-1,4-diazepane?
1-(2-methoxyethyl)-4-propyl-1,4-diazepane has a molecular weight of 200.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-propyl-1,4-diazepane is sourced from PubChem (CID 157028655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).