N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride

C10H22ClNO3 — CID 87121753

IUPACN,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCC(C)O.CN(C)C.Cl
InChIInChI=1S/C7H12O3.C3H9N.ClH/c1-5(2)7(9)10-4-6(3)8;1-4(2)3;/h6,8H,1,4H2,2-3H3;1-3H3;1H
InChIKeyDQCSJGUXTUJMAA-UHFFFAOYSA-N
MW239.74 g/mol
LogP1.09
Rot. Bonds3

About N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride

N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 87121753) has the molecular formula C10H22ClNO3 and a molecular weight of 239.74 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
PubChem CID87121753
Molecular FormulaC10H22ClNO3
Molecular Weight239.74 g/mol
Exact Mass239.13
IUPAC NameN,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCC(C)O.CN(C)C.Cl
InChIInChI=1S/C7H12O3.C3H9N.ClH/c1-5(2)7(9)10-4-6(3)8;1-4(2)3;/h6,8H,1,4H2,2-3H3;1-3H3;1H
InChIKeyDQCSJGUXTUJMAA-UHFFFAOYSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.74
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
2-hydroxyethyl 2-methylprop-2-enoate;hydroxymethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;methane
CID 158577416
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 146520905
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 172788583

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride (CID 87121753) is N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)OCC(C)O.CN(C)C.Cl.
What is the InChIKey of N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is DQCSJGUXTUJMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C3H9N.ClH/c1-5(2)7(9)10-4-6(3)8;1-4(2)3;/h6,8H,1,4H2,2-3H3;1-3H3;1H.
What are the key properties of N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride?
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 239.74 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 87121753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).