N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate

C8H16INO2 — CID 87224963

IUPACN,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
SMILESC=CC(=O)OC(C)I.CN(C)C
InChIInChI=1S/C5H7IO2.C3H9N/c1-3-5(7)8-4(2)6;1-4(2)3/h3-4H,1H2,2H3;1-3H3
InChIKeyMOKSNUVTQMSTHK-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.67
Rot. Bonds2

About N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate

N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate (PubChem CID 87224963) has the molecular formula C8H16INO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
PubChem CID87224963
Molecular FormulaC8H16INO2
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC NameN,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
SMILESC=CC(=O)OC(C)I.CN(C)C
InChIInChI=1S/C5H7IO2.C3H9N/c1-3-5(7)8-4(2)6;1-4(2)3/h3-4H,1H2,2H3;1-3H3
InChIKeyMOKSNUVTQMSTHK-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
CID 172734708
CID 172734708
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine
CID 87224852
2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
CID 174598026
amino prop-2-enoate;N,N-dimethylmethanamine
CID 174521211
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate?
The IUPAC name of N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate (CID 87224963) is N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate.
What is the SMILES notation for N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate?
The canonical SMILES for N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate is C=CC(=O)OC(C)I.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate?
The InChIKey is MOKSNUVTQMSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO2.C3H9N/c1-3-5(7)8-4(2)6;1-4(2)3/h3-4H,1H2,2H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate?
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate has a molecular weight of 285.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate is sourced from PubChem (CID 87224963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).