methyl 2-(cyclohexylamino)-2-ethylhexanoate

C15H29NO2 — CID 63952854

IUPACmethyl 2-(cyclohexylamino)-2-ethylhexanoate
SMILESCCCCC(CC)(NC1CCCCC1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-4-6-12-15(5-2,14(17)18-3)16-13-10-8-7-9-11-13/h13,16H,4-12H2,1-3H3
InChIKeyJFUUIAXIZFMTME-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.42
Rot. Bonds7

About methyl 2-(cyclohexylamino)-2-ethylhexanoate

methyl 2-(cyclohexylamino)-2-ethylhexanoate (PubChem CID 63952854) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-(cyclohexylamino)-2-ethylhexanoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylamino)-2-ethylhexanoate
PubChem CID63952854
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-(cyclohexylamino)-2-ethylhexanoate
SMILESCCCCC(CC)(NC1CCCCC1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-4-6-12-15(5-2,14(17)18-3)16-13-10-8-7-9-11-13/h13,16H,4-12H2,1-3H3
InChIKeyJFUUIAXIZFMTME-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(butan-2-ylamino)-2-ethylhexanoate
CID 63953250
2-(cyclopentylamino)-2-propylpentanamide
CID 61002588
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
CID 106807115
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate
CID 61001229
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylamino)-2-ethylhexanoate?
The IUPAC name of methyl 2-(cyclohexylamino)-2-ethylhexanoate (CID 63952854) is methyl 2-(cyclohexylamino)-2-ethylhexanoate.
What is the SMILES notation for methyl 2-(cyclohexylamino)-2-ethylhexanoate?
The canonical SMILES for methyl 2-(cyclohexylamino)-2-ethylhexanoate is CCCCC(CC)(NC1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclohexylamino)-2-ethylhexanoate?
The InChIKey is JFUUIAXIZFMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-12-15(5-2,14(17)18-3)16-13-10-8-7-9-11-13/h13,16H,4-12H2,1-3H3.
What are the key properties of methyl 2-(cyclohexylamino)-2-ethylhexanoate?
methyl 2-(cyclohexylamino)-2-ethylhexanoate has a molecular weight of 255.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylamino)-2-ethylhexanoate is sourced from PubChem (CID 63952854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).