N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium

C9H25N2O+ — CID 87756343

IUPACN,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
SMILESCC(O)C[N+](C)(C)C.CN(C)C
InChIInChI=1S/C6H16NO.C3H9N/c1-6(8)5-7(2,3)4;1-4(2)3/h6,8H,5H2,1-4H3;1-3H3/q+1;
InChIKeyFMKWAONMRCTGRL-UHFFFAOYSA-N
MW177.31 g/mol
LogP0.25
Rot. Bonds2

About N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium

N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium (PubChem CID 87756343) has the molecular formula C9H25N2O+ and a molecular weight of 177.31 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
PubChem CID87756343
Molecular FormulaC9H25N2O+
Molecular Weight177.31 g/mol
Exact Mass177.20
IUPAC NameN,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
SMILESCC(O)C[N+](C)(C)C.CN(C)C
InChIInChI=1S/C6H16NO.C3H9N/c1-6(8)5-7(2,3)4;1-4(2)3/h6,8H,5H2,1-4H3;1-3H3/q+1;
InChIKeyFMKWAONMRCTGRL-UHFFFAOYSA-N
XLogP0.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136
2-hydroxypropyl(trimethyl)azanium;perchloric acid
CID 87344465
azane;formic acid;2-hydroxypropyl(trimethyl)azanium
CID 174711582
2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
CID 175459038
2-hydroxypropyl(trimethyl)azanium;prop-2-enamide;chloride
CID 160609896
2-hydroxypropyl(trimethyl)azanium;octadecanoate
CID 141310032
(2-hydroxy-2-sulfanylethyl)-trimethylazanium
CID 87329040
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027380
1-hydroxy-2-(trimethylazaniumyl)ethanolate
CID 57464204
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027381

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium?
The IUPAC name of N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium (CID 87756343) is N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium.
What is the SMILES notation for N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium?
The canonical SMILES for N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium is CC(O)C[N+](C)(C)C.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium?
The InChIKey is FMKWAONMRCTGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.C3H9N/c1-6(8)5-7(2,3)4;1-4(2)3/h6,8H,5H2,1-4H3;1-3H3/q+1;.
What are the key properties of N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium?
N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium has a molecular weight of 177.31 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium is sourced from PubChem (CID 87756343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).