CID 135991968

C7H15AlKN4 — CID 135991968

IUPAC—
SMILES[H]/N=C(C[Al])/N=C(\N)CN(C)CC.[K]
InChIInChI=1S/C7H15N4.Al.K/c1-4-11(3)5-7(9)10-6(2)8;;/h2,4-5H2,1,3H3,(H3,8,9,10);;
InChIKeyTVZAMFFCGRHHJR-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.52
Rot. Bonds4

About CID 135991968

CID 135991968 (PubChem CID 135991968) has the molecular formula C7H15AlKN4 and a molecular weight of 221.30 g/mol.

Molecular Properties

Compound NameCID 135991968
PubChem CID135991968
Molecular FormulaC7H15AlKN4
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name—
SMILES[H]/N=C(C[Al])/N=C(\N)CN(C)CC.[K]
InChIInChI=1S/C7H15N4.Al.K/c1-4-11(3)5-7(9)10-6(2)8;;/h2,4-5H2,1,3H3,(H3,8,9,10);;
InChIKeyTVZAMFFCGRHHJR-UHFFFAOYSA-N
XLogP-0.52
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.52
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'}

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Related Compounds

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CID 59060895
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CID 3259588
2-[hydroxy(methyl)amino]ethanimidamide
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2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
N-(1-aminopropylidene)carbamimidoyl chloride
CID 90999184
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
N-ethyl-N-methylethanamine;methanamine
CID 145177387
2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide
CID 65250610
3-[dimethylamino(ethyl)amino]propanimidamide
CID 150321810
5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
CID 102993810

Frequently Asked Questions

What is the IUPAC name of CID 135991968?
The IUPAC name of CID 135991968 (CID 135991968) is not available.
What is the SMILES notation for CID 135991968?
The canonical SMILES for CID 135991968 is [H]/N=C(C[Al])/N=C(\N)CN(C)CC.[K].
What is the InChIKey of CID 135991968?
The InChIKey is TVZAMFFCGRHHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N4.Al.K/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 135991968?
CID 135991968 has a molecular weight of 221.30 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135991968 is sourced from PubChem (CID 135991968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).