alumanylmethanimidamide

CH5AlN2 — CID 174565420

IUPACalumanylmethanimidamide
SMILES[H]/N=C(\N)[AlH2]
InChIInChI=1S/CH3N2.Al.2H/c2-1-3;;;/h(H3,2,3);;;
InChIKeyJTUWANHPPAUGHE-UHFFFAOYSA-N
MW72.05 g/mol
LogP-1.49
Rot. Bonds

About alumanylmethanimidamide

alumanylmethanimidamide (PubChem CID 174565420) has the molecular formula CH5AlN2 and a molecular weight of 72.05 g/mol. Its IUPAC name is alumanylmethanimidamide.

Molecular Properties

Compound Namealumanylmethanimidamide
PubChem CID174565420
Molecular FormulaCH5AlN2
Molecular Weight72.05 g/mol
Exact Mass72.03
IUPAC Namealumanylmethanimidamide
SMILES[H]/N=C(\N)[AlH2]
InChIInChI=1S/CH3N2.Al.2H/c2-1-3;;;/h(H3,2,3);;;
InChIKeyJTUWANHPPAUGHE-UHFFFAOYSA-N
XLogP-1.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.05
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

calcium;carbamimidate;dichloride
CID 73456692
ethanediimidamide;trihydrochloride
CID 139639987
carbamimidoyl fluoride;λ2-plumbane
CID 175191014
CID 174391315
CID 174391315
cobalt;ethanimidamide
CID 162055614
carbamimidoyl iodide;hydron
CID 174864753
phosphanylmethanimidamide;hydrate
CID 174901910
ethanimidamide;guanidine
CID 160661984
carbamimidate;palladium;dichloride
CID 102060497
ethanimidamide;hydrate;hydrochloride
CID 160733537
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553

Frequently Asked Questions

What is the IUPAC name of alumanylmethanimidamide?
The IUPAC name of alumanylmethanimidamide (CID 174565420) is alumanylmethanimidamide.
What is the SMILES notation for alumanylmethanimidamide?
The canonical SMILES for alumanylmethanimidamide is [H]/N=C(\N)[AlH2].
What is the InChIKey of alumanylmethanimidamide?
The InChIKey is JTUWANHPPAUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2.Al.2H/c2-1-3;;;/h(H3,2,3);;;.
What are the key properties of alumanylmethanimidamide?
alumanylmethanimidamide has a molecular weight of 72.05 g/mol, XLogP of -1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumanylmethanimidamide is sourced from PubChem (CID 174565420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).