1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride

C8H19ClN2O2 — CID 174987164

IUPAC1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride
SMILESC=C(C)C(=O)O.CC(N)N(C)C.Cl
InChIInChI=1S/C4H12N2.C4H6O2.ClH/c1-4(5)6(2)3;1-3(2)4(5)6;/h4H,5H2,1-3H3;1H2,2H3,(H,5,6);1H
InChIKeyXSRCRBPZSUWFDF-UHFFFAOYSA-N
MW210.70 g/mol
LogP0.92
Rot. Bonds2

About 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride

1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride (PubChem CID 174987164) has the molecular formula C8H19ClN2O2 and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride
PubChem CID174987164
Molecular FormulaC8H19ClN2O2
Molecular Weight210.70 g/mol
Exact Mass210.11
IUPAC Name1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride
SMILESC=C(C)C(=O)O.CC(N)N(C)C.Cl
InChIInChI=1S/C4H12N2.C4H6O2.ClH/c1-4(5)6(2)3;1-3(2)4(5)6;/h4H,5H2,1-3H3;1H2,2H3,(H,5,6);1H
InChIKeyXSRCRBPZSUWFDF-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride?
The IUPAC name of 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride (CID 174987164) is 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride.
What is the SMILES notation for 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride?
The canonical SMILES for 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride is C=C(C)C(=O)O.CC(N)N(C)C.Cl.
What is the InChIKey of 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride?
The InChIKey is XSRCRBPZSUWFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.C4H6O2.ClH/c1-4(5)6(2)3;1-3(2)4(5)6;/h4H,5H2,1-3H3;1H2,2H3,(H,5,6);1H.
What are the key properties of 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride?
1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride has a molecular weight of 210.70 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride is sourced from PubChem (CID 174987164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).