2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite

C16H28ClNO3 — CID 129058819

IUPAC2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite
SMILESCC1CC2CCCC(CC(=O)NCCOCCOCl)(C1)C2
InChIInChI=1S/C16H28ClNO3/c1-13-9-14-3-2-4-16(10-13,11-14)12-15(19)18-5-6-20-7-8-21-17/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyYYTYQHIFWWDMAU-UHFFFAOYSA-N
MW317.86 g/mol
LogP3.29
Rot. Bonds8

About 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite

2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite (PubChem CID 129058819) has the molecular formula C16H28ClNO3 and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite.

Molecular Properties

Compound Name2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite
PubChem CID129058819
Molecular FormulaC16H28ClNO3
Molecular Weight317.86 g/mol
Exact Mass317.18
IUPAC Name2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite
SMILESCC1CC2CCCC(CC(=O)NCCOCCOCl)(C1)C2
InChIInChI=1S/C16H28ClNO3/c1-13-9-14-3-2-4-16(10-13,11-14)12-15(19)18-5-6-20-7-8-21-17/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyYYTYQHIFWWDMAU-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 139399772
2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide
CID 166540472
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 138626206
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
CID 154975000
N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide
CID 166943535
2-(1-aminocyclopentyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 64679664
2-(1-aminocyclobutyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 79854561
N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537332
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 163608342
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 163654965
2-(1-adamantyl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]acetamide
CID 114758033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite?
The IUPAC name of 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite (CID 129058819) is 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite.
What is the SMILES notation for 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite?
The canonical SMILES for 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite is CC1CC2CCCC(CC(=O)NCCOCCOCl)(C1)C2.
What is the InChIKey of 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite?
The InChIKey is YYTYQHIFWWDMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO3/c1-13-9-14-3-2-4-16(10-13,11-14)12-15(19)18-5-6-20-7-8-21-17/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite?
2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite has a molecular weight of 317.86 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite is sourced from PubChem (CID 129058819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).