1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride

C10H17ClN6 — CID 175917491

IUPAC1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
SMILESCc1ccccc1C/N=C(\N)NN=C(N)N.Cl
InChIInChI=1S/C10H16N6.ClH/c1-7-4-2-3-5-8(7)6-14-10(13)16-15-9(11)12;/h2-5H,6H2,1H3,(H4,11,12,15)(H3,13,14,16);1H
InChIKeyBATODKALDADKTJ-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.01
Rot. Bonds3

About 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride

1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride (PubChem CID 175917491) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
PubChem CID175917491
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
SMILESCc1ccccc1C/N=C(\N)NN=C(N)N.Cl
InChIInChI=1S/C10H16N6.ClH/c1-7-4-2-3-5-8(7)6-14-10(13)16-15-9(11)12;/h2-5H,6H2,1H3,(H4,11,12,15)(H3,13,14,16);1H
InChIKeyBATODKALDADKTJ-UHFFFAOYSA-N
XLogP0.01
TPSA114.81 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride (CID 175917491) is 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride is Cc1ccccc1C/N=C(\N)NN=C(N)N.Cl.
What is the InChIKey of 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride?
The InChIKey is BATODKALDADKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6.ClH/c1-7-4-2-3-5-8(7)6-14-10(13)16-15-9(11)12;/h2-5H,6H2,1H3,(H4,11,12,15)(H3,13,14,16);1H.
What are the key properties of 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride?
1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride has a molecular weight of 256.74 g/mol, XLogP of 0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride is sourced from PubChem (CID 175917491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).