alumane;ethane-1,1-diamine

C2H11AlN2 — CID 174593574

IUPACalumane;ethane-1,1-diamine
SMILESCC(N)N.[AlH3]
InChIInChI=1S/C2H8N2.Al.3H/c1-2(3)4;;;;/h2H,3-4H2,1H3;;;;
InChIKeyTYFBAHHJFHHPSN-UHFFFAOYSA-N
MW90.11 g/mol
LogP-1.93
Rot. Bonds

About alumane;ethane-1,1-diamine

alumane;ethane-1,1-diamine (PubChem CID 174593574) has the molecular formula C2H11AlN2 and a molecular weight of 90.11 g/mol. Its IUPAC name is alumane;ethane-1,1-diamine.

Molecular Properties

Compound Namealumane;ethane-1,1-diamine
PubChem CID174593574
Molecular FormulaC2H11AlN2
Molecular Weight90.11 g/mol
Exact Mass90.07
IUPAC Namealumane;ethane-1,1-diamine
SMILESCC(N)N.[AlH3]
InChIInChI=1S/C2H8N2.Al.3H/c1-2(3)4;;;;/h2H,3-4H2,1H3;;;;
InChIKeyTYFBAHHJFHHPSN-UHFFFAOYSA-N
XLogP-1.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.11
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;ethane-1,1-diamine?
The IUPAC name of alumane;ethane-1,1-diamine (CID 174593574) is alumane;ethane-1,1-diamine.
What is the SMILES notation for alumane;ethane-1,1-diamine?
The canonical SMILES for alumane;ethane-1,1-diamine is CC(N)N.[AlH3].
What is the InChIKey of alumane;ethane-1,1-diamine?
The InChIKey is TYFBAHHJFHHPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.Al.3H/c1-2(3)4;;;;/h2H,3-4H2,1H3;;;;.
What are the key properties of alumane;ethane-1,1-diamine?
alumane;ethane-1,1-diamine has a molecular weight of 90.11 g/mol, XLogP of -1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;ethane-1,1-diamine is sourced from PubChem (CID 174593574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).