4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one

C9H19N3O — CID 65360908

IUPAC4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one
SMILESCCNCCN1CCCNC(=O)C1
InChIInChI=1S/C9H19N3O/c1-2-10-5-7-12-6-3-4-11-9(13)8-12/h10H,2-8H2,1H3,(H,11,13)
InChIKeyFZGASUOUSXRSLG-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.58
Rot. Bonds4

About 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one

4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one (PubChem CID 65360908) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one
PubChem CID65360908
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one
SMILESCCNCCN1CCCNC(=O)C1
InChIInChI=1S/C9H19N3O/c1-2-10-5-7-12-6-3-4-11-9(13)8-12/h10H,2-8H2,1H3,(H,11,13)
InChIKeyFZGASUOUSXRSLG-UHFFFAOYSA-N
XLogP-0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one
CID 107446484
4-(2-hydroxyethyl)-1,4-diazepan-2-one
CID 14574145
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
N-[2-(3-oxopiperazin-1-yl)ethyl]formamide
CID 87676983
4-(5-aminopentyl)-1,4-diazepan-2-one
CID 65361478
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one
CID 65366124
4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,4-diazepan-2-one
CID 80607879
methyl 2-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanoate
CID 65366327
4-[[6-(ethylamino)-2-pyridinyl]methyl]-1,4-diazepan-2-one
CID 79233656
2-(3-oxo-1,4-diazepan-1-yl)ethanethioamide
CID 65361002
N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
CID 71345985

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one (CID 65360908) is 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one is CCNCCN1CCCNC(=O)C1.
What is the InChIKey of 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one?
The InChIKey is FZGASUOUSXRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-10-5-7-12-6-3-4-11-9(13)8-12/h10H,2-8H2,1H3,(H,11,13).
What are the key properties of 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one?
4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one has a molecular weight of 185.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one is sourced from PubChem (CID 65360908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).