ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate

C14H24N4O2 — CID 66140830

IUPACethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(C)C)c1cncn1C1CC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)13(16-7-8-17(2)3)12-9-15-10-18(12)11-5-6-11/h9-11,13,16H,4-8H2,1-3H3
InChIKeyOUNJBZKAEPMNJO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.97
Rot. Bonds8

About ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate

ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate (PubChem CID 66140830) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate
PubChem CID66140830
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(C)C)c1cncn1C1CC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)13(16-7-8-17(2)3)12-9-15-10-18(12)11-5-6-11/h9-11,13,16H,4-8H2,1-3H3
InChIKeyOUNJBZKAEPMNJO-UHFFFAOYSA-N
XLogP0.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
ethyl 2-[2-(diethylamino)ethylamino]-2-(3-methylimidazol-4-yl)acetate
CID 66117956
ethyl 3-(3-cyclopropylimidazol-4-yl)-2-formamido-3-hydroxypropanoate
CID 66205925
ethyl 4-(3-cyclopropylimidazol-4-yl)-4-hydroxybutanoate
CID 66162909
methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate
CID 66140237
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163422
ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66163023
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
2-(3-cyclopropylimidazol-4-yl)-2-(propylamino)ethanol
CID 66141261
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888
2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
CID 66140038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate?
The IUPAC name of ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate (CID 66140830) is ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate.
What is the SMILES notation for ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate?
The canonical SMILES for ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate is CCOC(=O)C(NCCN(C)C)c1cncn1C1CC1.
What is the InChIKey of ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate?
The InChIKey is OUNJBZKAEPMNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-20-14(19)13(16-7-8-17(2)3)12-9-15-10-18(12)11-5-6-11/h9-11,13,16H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate?
ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate has a molecular weight of 280.37 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate is sourced from PubChem (CID 66140830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).