ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate

C14H27NO2 — CID 60796428

IUPACethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate
SMILESCCOC(=O)C(CC)(CC(C)CC)NC1CC1
InChIInChI=1S/C14H27NO2/c1-5-11(4)10-14(6-2,13(16)17-7-3)15-12-8-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyMCVGTNWCCDRRCC-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate

ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate (PubChem CID 60796428) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate
PubChem CID60796428
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate
SMILESCCOC(=O)C(CC)(CC(C)CC)NC1CC1
InChIInChI=1S/C14H27NO2/c1-5-11(4)10-14(6-2,13(16)17-7-3)15-12-8-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyMCVGTNWCCDRRCC-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
Methyl 3-methylpiperidine-2-carboxylate hydrochloride
CID 89739579
Ethyl 4-methylpiperidine-2-carboxylate
CID 15697772
Ethyl (2S,4S)-4-Methylpipecolate
CID 15697773
Ethyl 2-azabicyclo(4.1.0)heptane-1-carboxylate
CID 55280129
Methyl 4-methylpiperidine-2-carboxylate hydrochloride
CID 75422084
Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate
CID 10313307
rel-Ethyl (2R,4S)-4-methyl-2-piperidinecarboxylate
CID 15697774
ethyl (2R,3R)-3-cyclohexylaziridine-2-carboxylate
CID 102348644
2-Methylpropyl 2-piperidinecarboxylate
CID 13743432
Methyl 3-methylpiperidine-2-carboxylate
CID 85665007
2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2S-cis)-
CID 9920488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate (CID 60796428) is ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate is CCOC(=O)C(CC)(CC(C)CC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate?
The InChIKey is MCVGTNWCCDRRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-11(4)10-14(6-2,13(16)17-7-3)15-12-8-9-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate?
ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-ethyl-4-methylhexanoate is sourced from PubChem (CID 60796428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).