ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate

C14H27NO2 — CID 64667349

IUPACethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
SMILESCCOC(=O)C(CC)NC1CCCC(C)C1C
InChIInChI=1S/C14H27NO2/c1-5-12(14(16)17-6-2)15-13-9-7-8-10(3)11(13)4/h10-13,15H,5-9H2,1-4H3
InChIKeyWPCFJCZJOWBVIN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds5

About ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate

ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate (PubChem CID 64667349) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
PubChem CID64667349
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
SMILESCCOC(=O)C(CC)NC1CCCC(C)C1C
InChIInChI=1S/C14H27NO2/c1-5-12(14(16)17-6-2)15-13-9-7-8-10(3)11(13)4/h10-13,15H,5-9H2,1-4H3
InChIKeyWPCFJCZJOWBVIN-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methylcyclohexyl)amino]butanoate
CID 115279491
ethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]butanoate
CID 104696264
ethyl 2-[(2-methylcycloheptyl)amino]pentanoate
CID 83040703
2-[(2-methylcyclohexyl)amino]butanamide
CID 62901176
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278
ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate
CID 95605349
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate?
The IUPAC name of ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate (CID 64667349) is ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate?
The canonical SMILES for ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate is CCOC(=O)C(CC)NC1CCCC(C)C1C.
What is the InChIKey of ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate?
The InChIKey is WPCFJCZJOWBVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-12(14(16)17-6-2)15-13-9-7-8-10(3)11(13)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate?
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate is sourced from PubChem (CID 64667349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).