CID 59060895

C7H15AlN4 — CID 59060895

IUPAC—
SMILES[H]/N=C(CN(C)CC)/N=C(/N)C[Al]
InChIInChI=1S/C7H15N4.Al/c1-4-11(3)5-7(9)10-6(2)8;/h2,4-5H2,1,3H3,(H3,8,9,10);
InChIKeyLGAFZDNEGWNBMO-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.14
Rot. Bonds4

About CID 59060895

CID 59060895 (PubChem CID 59060895) has the molecular formula C7H15AlN4 and a molecular weight of 182.21 g/mol.

Molecular Properties

Compound NameCID 59060895
PubChem CID59060895
Molecular FormulaC7H15AlN4
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name—
SMILES[H]/N=C(CN(C)CC)/N=C(/N)C[Al]
InChIInChI=1S/C7H15N4.Al/c1-4-11(3)5-7(9)10-6(2)8;/h2,4-5H2,1,3H3,(H3,8,9,10);
InChIKeyLGAFZDNEGWNBMO-UHFFFAOYSA-N
XLogP-0.14
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59060895 with MolForge

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

Launch Full Analysis

Related Compounds

CID 135991968
CID 135991968
N'-propanimidoylpropanimidamide
CID 58804639
1-[N'-[[ethyl(methyl)amino]methyl]carbamimidoyl]-3-propan-2-ylideneguanidine
CID 176522076
2-(diethylamino)ethanimidamide
CID 3259588
2-[hydroxy(methyl)amino]ethanimidamide
CID 87382268
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
1-ethyl-1-methyl-3-methylideneguanidine
CID 59950676
N-(1-aminopropylidene)carbamimidoyl chloride
CID 90999184
2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073267
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
N-ethyl-N-methylethanamine;methanamine
CID 145177387
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479

Frequently Asked Questions

What is the IUPAC name of CID 59060895?
The IUPAC name of CID 59060895 (CID 59060895) is not available.
What is the SMILES notation for CID 59060895?
The canonical SMILES for CID 59060895 is [H]/N=C(CN(C)CC)/N=C(/N)C[Al].
What is the InChIKey of CID 59060895?
The InChIKey is LGAFZDNEGWNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N4.Al/c1-4-11(3)5-7(9)10-6(2)8;/h2,4-5H2,1,3H3,(H3,8,9,10);.
What are the key properties of CID 59060895?
CID 59060895 has a molecular weight of 182.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59060895 is sourced from PubChem (CID 59060895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).