potassium (3-methylbenzene-6-id-1-yl)iminomethanamine

C8H8KN2- — CID 155749261

IUPACpotassium (3-methylbenzene-6-id-1-yl)iminomethanamine
SMILESCc1cc[c-]c(/N=[C-]/N)c1.[K+]
InChIInChI=1S/C8H8N2.K/c1-7-3-2-4-8(5-7)10-6-9;/h2-3,5H,1H3,(H2,9,10);/q-2;+1
InChIKeyVAUMMHAZMNDRQZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP-1.71
Rot. Bonds1

About potassium (3-methylbenzene-6-id-1-yl)iminomethanamine

potassium (3-methylbenzene-6-id-1-yl)iminomethanamine (PubChem CID 155749261) has the molecular formula C8H8KN2- and a molecular weight of 171.26 g/mol. Its IUPAC name is potassium (3-methylbenzene-6-id-1-yl)iminomethanamine.

Molecular Properties

Compound Namepotassium (3-methylbenzene-6-id-1-yl)iminomethanamine
PubChem CID155749261
Molecular FormulaC8H8KN2-
Molecular Weight171.26 g/mol
Exact Mass171.03
IUPAC Namepotassium (3-methylbenzene-6-id-1-yl)iminomethanamine
SMILESCc1cc[c-]c(/N=[C-]/N)c1.[K+]
InChIInChI=1S/C8H8N2.K/c1-7-3-2-4-8(5-7)10-6-9;/h2-3,5H,1H3,(H2,9,10);/q-2;+1
InChIKeyVAUMMHAZMNDRQZ-UHFFFAOYSA-N
XLogP-1.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
CID 59107797
2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine
CID 154649429
1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium;hydrochloride
CID 159681807
2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine
CID 163935105
N'-[(Z)-1-cyclohexa-1,5-dien-1-ylprop-1-enyl]carbamimidoyl chloride
CID 167223338
2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]guanidine
CID 169122359
1-(Diaminomethylidene)-2-[3,6-di(ethylidene)cyclohexa-1,4-dien-1-yl]guanidine
CID 175234712
1-(Diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099839
1-(Diaminomethylidene)-2-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099840

Frequently Asked Questions

What is the IUPAC name of potassium (3-methylbenzene-6-id-1-yl)iminomethanamine?
The IUPAC name of potassium (3-methylbenzene-6-id-1-yl)iminomethanamine (CID 155749261) is potassium (3-methylbenzene-6-id-1-yl)iminomethanamine.
What is the SMILES notation for potassium (3-methylbenzene-6-id-1-yl)iminomethanamine?
The canonical SMILES for potassium (3-methylbenzene-6-id-1-yl)iminomethanamine is Cc1cc[c-]c(/N=[C-]/N)c1.[K+].
What is the InChIKey of potassium (3-methylbenzene-6-id-1-yl)iminomethanamine?
The InChIKey is VAUMMHAZMNDRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.K/c1-7-3-2-4-8(5-7)10-6-9;/h2-3,5H,1H3,(H2,9,10);/q-2;+1.
What are the key properties of potassium (3-methylbenzene-6-id-1-yl)iminomethanamine?
potassium (3-methylbenzene-6-id-1-yl)iminomethanamine has a molecular weight of 171.26 g/mol, XLogP of -1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-methylbenzene-6-id-1-yl)iminomethanamine is sourced from PubChem (CID 155749261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).