N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride

C8H20ClNO3 — CID 173444949

IUPACN,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
SMILESCC(=O)OCC(C)O.CN(C)C.Cl
InChIInChI=1S/C5H10O3.C3H9N.ClH/c1-4(6)3-8-5(2)7;1-4(2)3;/h4,6H,3H2,1-2H3;1-3H3;1H
InChIKeyIPUIKHRWDWRESO-UHFFFAOYSA-N
MW213.70 g/mol
LogP0.53
Rot. Bonds2

About N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride

N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride (PubChem CID 173444949) has the molecular formula C8H20ClNO3 and a molecular weight of 213.70 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
PubChem CID173444949
Molecular FormulaC8H20ClNO3
Molecular Weight213.70 g/mol
Exact Mass213.11
IUPAC NameN,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
SMILESCC(=O)OCC(C)O.CN(C)C.Cl
InChIInChI=1S/C5H10O3.C3H9N.ClH/c1-4(6)3-8-5(2)7;1-4(2)3;/h4,6H,3H2,1-2H3;1-3H3;1H
InChIKeyIPUIKHRWDWRESO-UHFFFAOYSA-N
XLogP0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.70
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride?
The IUPAC name of N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride (CID 173444949) is N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride.
What is the SMILES notation for N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride?
The canonical SMILES for N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride is CC(=O)OCC(C)O.CN(C)C.Cl.
What is the InChIKey of N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride?
The InChIKey is IPUIKHRWDWRESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H9N.ClH/c1-4(6)3-8-5(2)7;1-4(2)3;/h4,6H,3H2,1-2H3;1-3H3;1H.
What are the key properties of N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride?
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride has a molecular weight of 213.70 g/mol, XLogP of 0.53, 2 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 acetate;hydrochloride is sourced from PubChem (CID 173444949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).