1,2-bis(methylamino)ethyl 2-methylprop-2-enoate

C8H16N2O2 — CID 54104991

IUPAC1,2-bis(methylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CNC)NC
InChIInChI=1S/C8H16N2O2/c1-6(2)8(11)12-7(10-4)5-9-3/h7,9-10H,1,5H2,2-4H3
InChIKeyNDCUUCLRVLQFQW-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.13
Rot. Bonds5

About 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate

1,2-bis(methylamino)ethyl 2-methylprop-2-enoate (PubChem CID 54104991) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2-bis(methylamino)ethyl 2-methylprop-2-enoate
PubChem CID54104991
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1,2-bis(methylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CNC)NC
InChIInChI=1S/C8H16N2O2/c1-6(2)8(11)12-7(10-4)5-9-3/h7,9-10H,1,5H2,2-4H3
InChIKeyNDCUUCLRVLQFQW-UHFFFAOYSA-N
XLogP-0.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(tert-butylamino)propyl 2-methylprop-2-enoate
CID 18325515
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
CID 91213887
[2-(tert-butylamino)-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 22750442
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
CID 174605040
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium
CID 173115892
1-hydroxysulfanylethyl 2-methylprop-2-enoate
CID 23363156
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate (CID 54104991) is 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CNC)NC.
What is the InChIKey of 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is NDCUUCLRVLQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)8(11)12-7(10-4)5-9-3/h7,9-10H,1,5H2,2-4H3.
What are the key properties of 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate?
1,2-bis(methylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 172.23 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54104991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).