N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride

C6H14ClNO2 — CID 87893853

IUPACN,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.CN(C)C.Cl
InChIInChI=1S/C3H9N.C3H4O2.ClH/c1-4(2)3;1-2-3(4)5;/h1-3H3;2H,1H2,(H,4,5);1H
InChIKeyJEMWADDEJOVOGG-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.86
Rot. Bonds1

About N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride

N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride (PubChem CID 87893853) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
PubChem CID87893853
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC NameN,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.CN(C)C.Cl
InChIInChI=1S/C3H9N.C3H4O2.ClH/c1-4(2)3;1-2-3(4)5;/h1-3H3;2H,1H2,(H,4,5);1H
InChIKeyJEMWADDEJOVOGG-UHFFFAOYSA-N
XLogP0.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
methylalumane;tris(prop-2-enoic acid);hydrochloride
CID 173359829
methanol;prop-2-enoic acid
CID 159043362
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
cerium;bis(prop-2-enoic acid)
CID 169316659

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride?
The IUPAC name of N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride (CID 87893853) is N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride.
What is the SMILES notation for N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride?
The canonical SMILES for N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride is C=CC(=O)O.CN(C)C.Cl.
What is the InChIKey of N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride?
The InChIKey is JEMWADDEJOVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H4O2.ClH/c1-4(2)3;1-2-3(4)5;/h1-3H3;2H,1H2,(H,4,5);1H.
What are the key properties of N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride?
N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride is sourced from PubChem (CID 87893853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).