ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate

C14H25NO2 — CID 79847585

IUPACethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCCCC1(C)C
InChIInChI=1S/C14H25NO2/c1-4-17-12(16)14(15-11-7-8-11)10-6-5-9-13(14,2)3/h11,15H,4-10H2,1-3H3
InChIKeyWENNAUJXHXOLGO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds4

About ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate

ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate (PubChem CID 79847585) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate
PubChem CID79847585
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCCCC1(C)C
InChIInChI=1S/C14H25NO2/c1-4-17-12(16)14(15-11-7-8-11)10-6-5-9-13(14,2)3/h11,15H,4-10H2,1-3H3
InChIKeyWENNAUJXHXOLGO-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
CID 65045290
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
1-(cyclopentylamino)-2,2-dimethylcyclopentane-1-carboxamide
CID 79857143
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylate
CID 79833885
diethyl 2,2-dimethylcyclopentane-1,1-dicarboxylate
CID 135041560
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401878
ethyl 2-(cyclopropylamino)adamantane-2-carboxylate
CID 62780818
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
CID 63524112
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate (CID 79847585) is ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate is CCOC(=O)C1(NC2CC2)CCCCC1(C)C.
What is the InChIKey of ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate?
The InChIKey is WENNAUJXHXOLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-17-12(16)14(15-11-7-8-11)10-6-5-9-13(14,2)3/h11,15H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate?
ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 79847585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).