Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium

Name: Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₂₂N₂O₂+2 — CID 159411313

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium

SMILESC=[N+](C)O.CC.C[N+](C)(C)O

InChIInChI=1S/C3H10NO.C2H6NO.C2H6/c1-4(2,3)5;1-3(2)4;1-2/h5H,1-3H3;4H,1H2,2H3;1-2H3/q2*+1;

InChIKeyOEIZKDCMTVCQES-UHFFFAOYSA-N

MW166.26 g/mol

LogP0.83

Rot. Bonds

About Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium

Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium (PubChem CID 159411313) has the molecular formula C₇H₂₂N₂O₂+2 and a molecular weight of 166.26 g/mol. Its IUPAC name is ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium.

Molecular Properties

Compound Name	Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium
PubChem CID	159411313
Molecular Formula	C₇H₂₂N₂O₂+2
Molecular Weight	166.26 g/mol
Exact Mass	166.17
IUPAC Name	ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium
SMILES	C=[N+](C)O.CC.C[N+](C)(C)O
InChI	InChI=1S/C3H10NO.C2H6NO.C2H6/c1-4(2,3)5;1-3(2)4;1-2/h5H,1-3H3;4H,1H2,2H3;1-2H3/q2*+1;
InChIKey	OEIZKDCMTVCQES-UHFFFAOYSA-N
XLogP	0.83
TPSA	43.47 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.26
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?

The IUPAC name of Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium (CID 159411313) is ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium.

What is the SMILES notation for Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?

The canonical SMILES for Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium is C=[N+](C)O.CC.C[N+](C)(C)O.

What is the InChIKey of Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?

The InChIKey is OEIZKDCMTVCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO.C2H6NO.C2H6/c1-4(2,3)5;1-3(2)4;1-2/h5H,1-3H3;4H,1H2,2H3;1-2H3/q2*+1;.

What are the key properties of Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?

Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium has a molecular weight of 166.26 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium is sourced from PubChem (CID 159411313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159411313 — identifiers, structure, computed properties (public domain)

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