N-methylmethanamine;bis(2-methylprop-2-enoic acid)

C10H19NO4 — CID 175091080

IUPACN-methylmethanamine;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CNC
InChIInChI=1S/2C4H6O2.C2H7N/c2*1-3(2)4(5)6;1-3-2/h2*1H2,2H3,(H,5,6);3H,1-2H3
InChIKeyPCSTYTBAEBLDSG-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.13
Rot. Bonds2

About N-methylmethanamine;bis(2-methylprop-2-enoic acid)

N-methylmethanamine;bis(2-methylprop-2-enoic acid) (PubChem CID 175091080) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-methylmethanamine;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound NameN-methylmethanamine;bis(2-methylprop-2-enoic acid)
PubChem CID175091080
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-methylmethanamine;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CNC
InChIInChI=1S/2C4H6O2.C2H7N/c2*1-3(2)4(5)6;1-3-2/h2*1H2,2H3,(H,5,6);3H,1-2H3
InChIKeyPCSTYTBAEBLDSG-UHFFFAOYSA-N
XLogP1.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;bis(2-methylprop-2-enoic acid)?
The IUPAC name of N-methylmethanamine;bis(2-methylprop-2-enoic acid) (CID 175091080) is N-methylmethanamine;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for N-methylmethanamine;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for N-methylmethanamine;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CNC.
What is the InChIKey of N-methylmethanamine;bis(2-methylprop-2-enoic acid)?
The InChIKey is PCSTYTBAEBLDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.C2H7N/c2*1-3(2)4(5)6;1-3-2/h2*1H2,2H3,(H,5,6);3H,1-2H3.
What are the key properties of N-methylmethanamine;bis(2-methylprop-2-enoic acid)?
N-methylmethanamine;bis(2-methylprop-2-enoic acid) has a molecular weight of 217.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 175091080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).