ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate

C17H32N2O2 — CID 63909180

IUPACethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate
SMILESCCOC(=O)C(CN(C)C1CCCC(C)C1)(NC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-5-21-16(20)17(18-3,14-9-10-14)12-19(4)15-8-6-7-13(2)11-15/h13-15,18H,5-12H2,1-4H3
InChIKeyARZHILNXLBKIBH-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.43
Rot. Bonds7

About ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate

ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate (PubChem CID 63909180) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate
PubChem CID63909180
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate
SMILESCCOC(=O)C(CN(C)C1CCCC(C)C1)(NC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-5-21-16(20)17(18-3,14-9-10-14)12-19(4)15-8-6-7-13(2)11-15/h13-15,18H,5-12H2,1-4H3
InChIKeyARZHILNXLBKIBH-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanamide
CID 63908983
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63928058
ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
CID 63909390
ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate
CID 63924989
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
ethyl 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanoate
CID 66128328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate (CID 63909180) is ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate is CCOC(=O)C(CN(C)C1CCCC(C)C1)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate?
The InChIKey is ARZHILNXLBKIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-21-16(20)17(18-3,14-9-10-14)12-19(4)15-8-6-7-13(2)11-15/h13-15,18H,5-12H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate?
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate has a molecular weight of 296.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate is sourced from PubChem (CID 63909180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).