ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate

C17H25NO2 — CID 60860338

IUPACethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
SMILESCCOC(=O)CCCCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NO2/c1-2-20-17(19)9-4-3-8-16(18)15-11-10-13-6-5-7-14(13)12-15/h10-12,16H,2-9,18H2,1H3
InChIKeyIPNWVOSGVXLBKT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.30
Rot. Bonds7

About ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate

ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate (PubChem CID 60860338) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
PubChem CID60860338
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
SMILESCCOC(=O)CCCCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NO2/c1-2-20-17(19)9-4-3-8-16(18)15-11-10-13-6-5-7-14(13)12-15/h10-12,16H,2-9,18H2,1H3
InChIKeyIPNWVOSGVXLBKT-UHFFFAOYSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.30
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

ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474
ethyl 6-amino-6-(4-propan-2-ylphenyl)hexanoate
CID 61023992
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
ethyl 6-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanoate
CID 60861991
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
ethyl 6-amino-6-(4-propylphenyl)hexanoate
CID 60862663
methyl 6-amino-6-(1,3-dihydro-2-benzofuran-5-yl)hexanoate
CID 63019188
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
CID 116914231
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate?
The IUPAC name of ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate (CID 60860338) is ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate.
What is the SMILES notation for ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate?
The canonical SMILES for ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate is CCOC(=O)CCCCC(N)c1ccc2c(c1)CCC2.
What is the InChIKey of ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate?
The InChIKey is IPNWVOSGVXLBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-17(19)9-4-3-8-16(18)15-11-10-13-6-5-7-14(13)12-15/h10-12,16H,2-9,18H2,1H3.
What are the key properties of ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate?
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate has a molecular weight of 275.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate is sourced from PubChem (CID 60860338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).