3-aminoalumanylprop-1-ene

C3H8AlN — CID 173128744

IUPAC3-aminoalumanylprop-1-ene
SMILESC=CC[AlH]N
InChIInChI=1S/C3H5.Al.H2N.H/c1-3-2;;;/h3H,1-2H2;;1H2;/q;+1;-1;
InChIKeyLUNZQWMFCISSPG-UHFFFAOYSA-N
MW85.09 g/mol
LogP-0.10
Rot. Bonds2

About 3-aminoalumanylprop-1-ene

3-aminoalumanylprop-1-ene (PubChem CID 173128744) has the molecular formula C3H8AlN and a molecular weight of 85.09 g/mol. Its IUPAC name is 3-aminoalumanylprop-1-ene.

Molecular Properties

Compound Name3-aminoalumanylprop-1-ene
PubChem CID173128744
Molecular FormulaC3H8AlN
Molecular Weight85.09 g/mol
Exact Mass85.05
IUPAC Name3-aminoalumanylprop-1-ene
SMILESC=CC[AlH]N
InChIInChI=1S/C3H5.Al.H2N.H/c1-3-2;;;/h3H,1-2H2;;1H2;/q;+1;-1;
InChIKeyLUNZQWMFCISSPG-UHFFFAOYSA-N
XLogP-0.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.09
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-aminoalumanylprop-1-ene?
The IUPAC name of 3-aminoalumanylprop-1-ene (CID 173128744) is 3-aminoalumanylprop-1-ene.
What is the SMILES notation for 3-aminoalumanylprop-1-ene?
The canonical SMILES for 3-aminoalumanylprop-1-ene is C=CC[AlH]N.
What is the InChIKey of 3-aminoalumanylprop-1-ene?
The InChIKey is LUNZQWMFCISSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5.Al.H2N.H/c1-3-2;;;/h3H,1-2H2;;1H2;/q;+1;-1;.
What are the key properties of 3-aminoalumanylprop-1-ene?
3-aminoalumanylprop-1-ene has a molecular weight of 85.09 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoalumanylprop-1-ene is sourced from PubChem (CID 173128744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).