N-methylethanamine;prop-2-enoic acid

C6H13NO2 — CID 87363958

IUPACN-methylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCNC
InChIInChI=1S/C3H9N.C3H4O2/c1-3-4-2;1-2-3(4)5/h4H,3H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyTTWNLTCHYQDPNO-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.48
Rot. Bonds2

About N-methylethanamine;prop-2-enoic acid

N-methylethanamine;prop-2-enoic acid (PubChem CID 87363958) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-methylethanamine;prop-2-enoic acid.

Molecular Properties

Compound NameN-methylethanamine;prop-2-enoic acid
PubChem CID87363958
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-methylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCNC
InChIInChI=1S/C3H9N.C3H4O2/c1-3-4-2;1-2-3(4)5/h4H,3H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyTTWNLTCHYQDPNO-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanol;prop-2-enoic acid
CID 159350313
ethanol;N-ethylethanamine;prop-2-enoic acid
CID 174573072
methanol;prop-2-enoic acid
CID 159043362
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
CID 173373039
CID 173373039
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
heptadecane;prop-2-enoic acid
CID 158681422
prop-2-enoic acid;triethylsilane
CID 175005870
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;prop-2-enoic acid?
The IUPAC name of N-methylethanamine;prop-2-enoic acid (CID 87363958) is N-methylethanamine;prop-2-enoic acid.
What is the SMILES notation for N-methylethanamine;prop-2-enoic acid?
The canonical SMILES for N-methylethanamine;prop-2-enoic acid is C=CC(=O)O.CCNC.
What is the InChIKey of N-methylethanamine;prop-2-enoic acid?
The InChIKey is TTWNLTCHYQDPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H4O2/c1-3-4-2;1-2-3(4)5/h4H,3H2,1-2H3;2H,1H2,(H,4,5).
What are the key properties of N-methylethanamine;prop-2-enoic acid?
N-methylethanamine;prop-2-enoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;prop-2-enoic acid is sourced from PubChem (CID 87363958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).