dimethylalumanylium;N-methylmethanamine;chloride

C4H13AlClN — CID 161015874

IUPACdimethylalumanylium;N-methylmethanamine;chloride
SMILESCNC.C[Al+]C.[Cl-]
InChIInChI=1S/C2H7N.2CH3.Al.ClH/c1-3-2;;;;/h3H,1-2H3;2*1H3;;1H/q;;;+1;/p-1
InChIKeyTXSHANWRSMQNQQ-UHFFFAOYSA-M
MW137.59 g/mol
LogP-2.37
Rot. Bonds

About dimethylalumanylium;N-methylmethanamine;chloride

dimethylalumanylium;N-methylmethanamine;chloride (PubChem CID 161015874) has the molecular formula C4H13AlClN and a molecular weight of 137.59 g/mol. Its IUPAC name is dimethylalumanylium;N-methylmethanamine;chloride.

Molecular Properties

Compound Namedimethylalumanylium;N-methylmethanamine;chloride
PubChem CID161015874
Molecular FormulaC4H13AlClN
Molecular Weight137.59 g/mol
Exact Mass137.06
IUPAC Namedimethylalumanylium;N-methylmethanamine;chloride
SMILESCNC.C[Al+]C.[Cl-]
InChIInChI=1S/C2H7N.2CH3.Al.ClH/c1-3-2;;;;/h3H,1-2H3;2*1H3;;1H/q;;;+1;/p-1
InChIKeyTXSHANWRSMQNQQ-UHFFFAOYSA-M
XLogP-2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.59
LogP ≤ 5-2.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethylalumanylium;N-methylmethanamine;chloride?
The IUPAC name of dimethylalumanylium;N-methylmethanamine;chloride (CID 161015874) is dimethylalumanylium;N-methylmethanamine;chloride.
What is the SMILES notation for dimethylalumanylium;N-methylmethanamine;chloride?
The canonical SMILES for dimethylalumanylium;N-methylmethanamine;chloride is CNC.C[Al+]C.[Cl-].
What is the InChIKey of dimethylalumanylium;N-methylmethanamine;chloride?
The InChIKey is TXSHANWRSMQNQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7N.2CH3.Al.ClH/c1-3-2;;;;/h3H,1-2H3;2*1H3;;1H/q;;;+1;/p-1.
What are the key properties of dimethylalumanylium;N-methylmethanamine;chloride?
dimethylalumanylium;N-methylmethanamine;chloride has a molecular weight of 137.59 g/mol, XLogP of -2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylalumanylium;N-methylmethanamine;chloride is sourced from PubChem (CID 161015874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).