1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride

C7H16ClNO2 — CID 155943669

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1COC(C)(C)O1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2)9-5-6(10-7)4-8-3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyNRHTXKOYJOMCGH-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.78
Rot. Bonds2

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride (PubChem CID 155943669) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride
PubChem CID155943669
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1COC(C)(C)O1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2)9-5-6(10-7)4-8-3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyNRHTXKOYJOMCGH-UHFFFAOYSA-N
XLogP0.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride (CID 155943669) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride is CNCC1COC(C)(C)O1.Cl.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is NRHTXKOYJOMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-7(2)9-5-6(10-7)4-8-3;/h6,8H,4-5H2,1-3H3;1H.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 155943669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).