N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate

C10H23NO6S — CID 87758243

IUPACN,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CN(C)C.COS(=O)(=O)O
InChIInChI=1S/C6H10O2.C3H9N.CH4O4S/c1-3-5-8-6(7)4-2;1-4(2)3;1-5-6(2,3)4/h4H,2-3,5H2,1H3;1-3H3;1H3,(H,2,3,4)
InChIKeyBVSCWSILAJCMIA-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.74
Rot. Bonds4

About N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate

N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate (PubChem CID 87758243) has the molecular formula C10H23NO6S and a molecular weight of 285.36 g/mol. Its IUPAC name is N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate
PubChem CID87758243
Molecular FormulaC10H23NO6S
Molecular Weight285.36 g/mol
Exact Mass285.12
IUPAC NameN,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CN(C)C.COS(=O)(=O)O
InChIInChI=1S/C6H10O2.C3H9N.CH4O4S/c1-3-5-8-6(7)4-2;1-4(2)3;1-5-6(2,3)4/h4H,2-3,5H2,1H3;1-3H3;1H3,(H,2,3,4)
InChIKeyBVSCWSILAJCMIA-UHFFFAOYSA-N
XLogP0.74
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
carbamic acid;propyl prop-2-enoate
CID 87571569
ethenoxyethene;propyl prop-2-enoate
CID 174744389
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-aminoethyl prop-2-enoate;ethyl hydrogen sulfate
CID 174928512
dimethoxy(propyl)silane;propyl prop-2-enoate
CID 174852514
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
2-(triethyl-λ4-sulfanyl)ethyl prop-2-enoate
CID 87905906
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate?
The IUPAC name of N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate (CID 87758243) is N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate.
What is the SMILES notation for N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate?
The canonical SMILES for N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate is C=CC(=O)OCCC.CN(C)C.COS(=O)(=O)O.
What is the InChIKey of N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate?
The InChIKey is BVSCWSILAJCMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H9N.CH4O4S/c1-3-5-8-6(7)4-2;1-4(2)3;1-5-6(2,3)4/h4H,2-3,5H2,1H3;1-3H3;1H3,(H,2,3,4).
What are the key properties of N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate?
N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate has a molecular weight of 285.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate is sourced from PubChem (CID 87758243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).