1-dimethylalumanyloxy-N,N-dimethylethanamine

C6H16AlNO — CID 21466737

IUPAC1-dimethylalumanyloxy-N,N-dimethylethanamine
SMILESCC(O[Al](C)C)N(C)C
InChIInChI=1S/C4H10NO.2CH3.Al/c1-4(6)5(2)3;;;/h4H,1-3H3;2*1H3;/q-1;;;+1
InChIKeyHMKVHMFFORLJHE-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.16
Rot. Bonds3

About 1-dimethylalumanyloxy-N,N-dimethylethanamine

1-dimethylalumanyloxy-N,N-dimethylethanamine (PubChem CID 21466737) has the molecular formula C6H16AlNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-dimethylalumanyloxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-dimethylalumanyloxy-N,N-dimethylethanamine
PubChem CID21466737
Molecular FormulaC6H16AlNO
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name1-dimethylalumanyloxy-N,N-dimethylethanamine
SMILESCC(O[Al](C)C)N(C)C
InChIInChI=1S/C4H10NO.2CH3.Al/c1-4(6)5(2)3;;;/h4H,1-3H3;2*1H3;/q-1;;;+1
InChIKeyHMKVHMFFORLJHE-UHFFFAOYSA-N
XLogP1.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-dimethylalumanyloxy-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-dimethylalumanyloxy-N,N-dimethylethanamine?
The IUPAC name of 1-dimethylalumanyloxy-N,N-dimethylethanamine (CID 21466737) is 1-dimethylalumanyloxy-N,N-dimethylethanamine.
What is the SMILES notation for 1-dimethylalumanyloxy-N,N-dimethylethanamine?
The canonical SMILES for 1-dimethylalumanyloxy-N,N-dimethylethanamine is CC(O[Al](C)C)N(C)C.
What is the InChIKey of 1-dimethylalumanyloxy-N,N-dimethylethanamine?
The InChIKey is HMKVHMFFORLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO.2CH3.Al/c1-4(6)5(2)3;;;/h4H,1-3H3;2*1H3;/q-1;;;+1.
What are the key properties of 1-dimethylalumanyloxy-N,N-dimethylethanamine?
1-dimethylalumanyloxy-N,N-dimethylethanamine has a molecular weight of 145.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylalumanyloxy-N,N-dimethylethanamine is sourced from PubChem (CID 21466737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).