ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate

C14H25NO2 — CID 62353118

IUPACethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCC(CC)CC1
InChIInChI=1S/C14H25NO2/c1-4-11-15-14(13(16)17-6-3)9-7-12(5-2)8-10-14/h4,12,15H,1,5-11H2,2-3H3
InChIKeyXXTJLGBFHRRKLF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.66
Rot. Bonds6

About ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate

ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate (PubChem CID 62353118) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
PubChem CID62353118
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCC(CC)CC1
InChIInChI=1S/C14H25NO2/c1-4-11-15-14(13(16)17-6-3)9-7-12(5-2)8-10-14/h4,12,15H,1,5-11H2,2-3H3
InChIKeyXXTJLGBFHRRKLF-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
CID 103439526
ethyl 4-tert-butyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 55063384
ethyl 1,1-dioxo-4-(prop-2-enylamino)thiane-4-carboxylate
CID 62354104
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CID 65075484
ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62976971
ethyl 1-(2-azidoethylamino)-4-ethylcyclohexane-1-carboxylate
CID 66191221
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 2-(prop-2-enylamino)adamantane-2-carboxylate
CID 62773313
ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513801

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate (CID 62353118) is ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate is C=CCNC1(C(=O)OCC)CCC(CC)CC1.
What is the InChIKey of ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate?
The InChIKey is XXTJLGBFHRRKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-11-15-14(13(16)17-6-3)9-7-12(5-2)8-10-14/h4,12,15H,1,5-11H2,2-3H3.
What are the key properties of ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate?
ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 62353118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).