methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate

C14H27NO2 — CID 107816750

IUPACmethyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
SMILESCCCCC(CC)CNC(C(=O)OC)C1CC1
InChIInChI=1S/C14H27NO2/c1-4-6-7-11(5-2)10-15-13(12-8-9-12)14(16)17-3/h11-13,15H,4-10H2,1-3H3
InChIKeyPKWFZGFQLNZRHB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds9

About methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate

methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate (PubChem CID 107816750) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
PubChem CID107816750
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
SMILESCCCCC(CC)CNC(C(=O)OC)C1CC1
InChIInChI=1S/C14H27NO2/c1-4-6-7-11(5-2)10-15-13(12-8-9-12)14(16)17-3/h11-13,15H,4-10H2,1-3H3
InChIKeyPKWFZGFQLNZRHB-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
2-cyclopropyl-5-ethylnonan-3-one
CID 114963721
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 103251044
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
CID 103259490
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate (CID 107816750) is methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate is CCCCC(CC)CNC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate?
The InChIKey is PKWFZGFQLNZRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-6-7-11(5-2)10-15-13(12-8-9-12)14(16)17-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate?
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate is sourced from PubChem (CID 107816750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).