2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate

C9H17N3O3 — CID 146337147

IUPAC2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)N=C(N)N
InChIInChI=1S/C9H17N3O3/c1-6(2)8(13)15-5-4-14-7(3)12-9(10)11/h7H,1,4-5H2,2-3H3,(H4,10,11,12)
InChIKeyWKUINUVHAFBHSU-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.26
Rot. Bonds6

About 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate

2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 146337147) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID146337147
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)N=C(N)N
InChIInChI=1S/C9H17N3O3/c1-6(2)8(13)15-5-4-14-7(3)12-9(10)11/h7H,1,4-5H2,2-3H3,(H4,10,11,12)
InChIKeyWKUINUVHAFBHSU-UHFFFAOYSA-N
XLogP-0.26
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)
CID 87981100
2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate
CID 15529247
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
2-[2-[2-[2-(1-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 174649038
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate
CID 23599748

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate (CID 146337147) is 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(C)N=C(N)N.
What is the InChIKey of 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is WKUINUVHAFBHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(2)8(13)15-5-4-14-7(3)12-9(10)11/h7H,1,4-5H2,2-3H3,(H4,10,11,12).
What are the key properties of 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate?
2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 146337147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).