1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride

C10H16ClN5 — CID 11971861

IUPAC1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride
SMILESCC(/N=C(\N)N=C(N)N)c1ccccc1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-7(8-5-3-2-4-6-8)14-10(13)15-9(11)12;/h2-7H,1H3,(H6,11,12,13,14,15);1H
InChIKeyATOZHCWQYQOMHQ-UHFFFAOYSA-N
MW241.73 g/mol
LogP0.76
Rot. Bonds2

About 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride (PubChem CID 11971861) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride
PubChem CID11971861
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride
SMILESCC(/N=C(\N)N=C(N)N)c1ccccc1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-7(8-5-3-2-4-6-8)14-10(13)15-9(11)12;/h2-7H,1H3,(H6,11,12,13,14,15);1H
InChIKeyATOZHCWQYQOMHQ-UHFFFAOYSA-N
XLogP0.76
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.76
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride (CID 11971861) is 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride is CC(/N=C(\N)N=C(N)N)c1ccccc1.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride?
The InChIKey is ATOZHCWQYQOMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.ClH/c1-7(8-5-3-2-4-6-8)14-10(13)15-9(11)12;/h2-7H,1H3,(H6,11,12,13,14,15);1H.
What are the key properties of 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride has a molecular weight of 241.73 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine;hydrochloride is sourced from PubChem (CID 11971861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).