ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate

C14H27NO3 — CID 115906978

IUPACethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOCC(C)NC1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H27NO3/c1-4-17-10-11(3)15-13-8-6-12(7-9-13)14(16)18-5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyDDTVGDFQGLDDKF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds7

About ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate

ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate (PubChem CID 115906978) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate
PubChem CID115906978
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOCC(C)NC1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H27NO3/c1-4-17-10-11(3)15-13-8-6-12(7-9-13)14(16)18-5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyDDTVGDFQGLDDKF-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
CID 54866990
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ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
ethyl 4-[1-(2-hydroxyphenyl)ethylamino]cyclohexane-1-carboxylate
CID 60932980
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3-(pentan-3-ylamino)cyclopentane-1-carboxylate
CID 104628488
ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297446
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate (CID 115906978) is ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate is CCOCC(C)NC1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate?
The InChIKey is DDTVGDFQGLDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-17-10-11(3)15-13-8-6-12(7-9-13)14(16)18-5-2/h11-13,15H,4-10H2,1-3H3.
What are the key properties of ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate?
ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115906978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).