2-alumanyl-N,5-dimethyloxan-3-amine

C7H16AlNO — CID 163592102

IUPAC2-alumanyl-N,5-dimethyloxan-3-amine
SMILESCNC1CC(C)COC1[AlH2]
InChIInChI=1S/C7H14NO.Al.2H/c1-6-3-7(8-2)5-9-4-6;;;/h5-8H,3-4H2,1-2H3;;;
InChIKeyGQJBXKMKMAOISE-UHFFFAOYSA-N
MW157.19 g/mol
LogP-0.41
Rot. Bonds1

About 2-alumanyl-N,5-dimethyloxan-3-amine

2-alumanyl-N,5-dimethyloxan-3-amine (PubChem CID 163592102) has the molecular formula C7H16AlNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-alumanyl-N,5-dimethyloxan-3-amine.

Molecular Properties

Compound Name2-alumanyl-N,5-dimethyloxan-3-amine
PubChem CID163592102
Molecular FormulaC7H16AlNO
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-alumanyl-N,5-dimethyloxan-3-amine
SMILESCNC1CC(C)COC1[AlH2]
InChIInChI=1S/C7H14NO.Al.2H/c1-6-3-7(8-2)5-9-4-6;;;/h5-8H,3-4H2,1-2H3;;;
InChIKeyGQJBXKMKMAOISE-UHFFFAOYSA-N
XLogP-0.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-alumanyl-N,5-dimethyloxan-3-amine?
The IUPAC name of 2-alumanyl-N,5-dimethyloxan-3-amine (CID 163592102) is 2-alumanyl-N,5-dimethyloxan-3-amine.
What is the SMILES notation for 2-alumanyl-N,5-dimethyloxan-3-amine?
The canonical SMILES for 2-alumanyl-N,5-dimethyloxan-3-amine is CNC1CC(C)COC1[AlH2].
What is the InChIKey of 2-alumanyl-N,5-dimethyloxan-3-amine?
The InChIKey is GQJBXKMKMAOISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO.Al.2H/c1-6-3-7(8-2)5-9-4-6;;;/h5-8H,3-4H2,1-2H3;;;.
What are the key properties of 2-alumanyl-N,5-dimethyloxan-3-amine?
2-alumanyl-N,5-dimethyloxan-3-amine has a molecular weight of 157.19 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-alumanyl-N,5-dimethyloxan-3-amine is sourced from PubChem (CID 163592102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).