N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine

C9H22AlNO — CID 159096961

IUPACN-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine
SMILESCOCCN([Al](C)C)C(C)(C)C
InChIInChI=1S/C7H16NO.2CH3.Al/c1-7(2,3)8-5-6-9-4;;;/h5-6H2,1-4H3;2*1H3;/q-1;;;+1
InChIKeyLMNNHLMBFIVWLZ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.98
Rot. Bonds4

About N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine

N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine (PubChem CID 159096961) has the molecular formula C9H22AlNO and a molecular weight of 187.26 g/mol. Its IUPAC name is N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine
PubChem CID159096961
Molecular FormulaC9H22AlNO
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC NameN-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine
SMILESCOCCN([Al](C)C)C(C)(C)C
InChIInChI=1S/C7H16NO.2CH3.Al/c1-7(2,3)8-5-6-9-4;;;/h5-6H2,1-4H3;2*1H3;/q-1;;;+1
InChIKeyLMNNHLMBFIVWLZ-UHFFFAOYSA-N
XLogP1.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine?
The IUPAC name of N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine (CID 159096961) is N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine is COCCN([Al](C)C)C(C)(C)C.
What is the InChIKey of N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine?
The InChIKey is LMNNHLMBFIVWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO.2CH3.Al/c1-7(2,3)8-5-6-9-4;;;/h5-6H2,1-4H3;2*1H3;/q-1;;;+1.
What are the key properties of N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine?
N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine has a molecular weight of 187.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethylalumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 159096961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).