methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate

C15H30N2O2 — CID 102994748

IUPACmethyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate
SMILESCCN(CC)CCCN(CC)C(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-5-16(6-2)11-8-12-17(7-3)14(13-9-10-13)15(18)19-4/h13-14H,5-12H2,1-4H3
InChIKeyJDZPGOVEFHCLMX-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.99
Rot. Bonds10

About methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate

methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate (PubChem CID 102994748) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate
PubChem CID102994748
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate
SMILESCCN(CC)CCCN(CC)C(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-5-16(6-2)11-8-12-17(7-3)14(13-9-10-13)15(18)19-4/h13-14H,5-12H2,1-4H3
InChIKeyJDZPGOVEFHCLMX-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
CID 102998207
methyl 2-[3-(diethylamino)propylamino]butanoate
CID 115352179
methyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)propanoate
CID 102996557
N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
4-amino-3-[3-(diethylamino)propyl-ethylamino]-N-ethylbutanamide
CID 102992088
methyl 2-bromo-3-[3-(diethylamino)propylamino]propanoate
CID 103234576
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride
CID 69456061
4-N-(dicyclopropylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43362773
methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate
CID 63956082
methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
CID 63742191

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate (CID 102994748) is methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate is CCN(CC)CCCN(CC)C(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate?
The InChIKey is JDZPGOVEFHCLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-16(6-2)11-8-12-17(7-3)14(13-9-10-13)15(18)19-4/h13-14H,5-12H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate?
methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate has a molecular weight of 270.42 g/mol, XLogP of 1.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate is sourced from PubChem (CID 102994748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).