ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate

C16H31NO3 — CID 102984108

IUPACethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
SMILESCCCC(C)OCCCC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C16H31NO3/c1-5-8-13(3)20-12-7-11-16(4,15(18)19-6-2)17-14-9-10-14/h13-14,17H,5-12H2,1-4H3
InChIKeyLFGTZIPTILIGBD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.05
Rot. Bonds11

About ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate

ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate (PubChem CID 102984108) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
PubChem CID102984108
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
SMILESCCCC(C)OCCCC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C16H31NO3/c1-5-8-13(3)20-12-7-11-16(4,15(18)19-6-2)17-14-9-10-14/h13-14,17H,5-12H2,1-4H3
InChIKeyLFGTZIPTILIGBD-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.05
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

ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
ethyl 2-(cyclopropylamino)-2-methyl-6-pentylsulfanylhexanoate
CID 107755513
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
CID 115942513
ethyl 2-(cyclopropylamino)-6-(2,3-dihydroxypropylsulfanyl)-2-methylhexanoate
CID 79671932
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
ethyl 2-(cyclopropylamino)-2-methyl-6-(oxetan-3-ylsulfanyl)hexanoate
CID 79326458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate (CID 102984108) is ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate is CCCC(C)OCCCC(C)(NC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate?
The InChIKey is LFGTZIPTILIGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-5-8-13(3)20-12-7-11-16(4,15(18)19-6-2)17-14-9-10-14/h13-14,17H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate?
ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate has a molecular weight of 285.43 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate is sourced from PubChem (CID 102984108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).