1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine

C10H15N5O — CID 548202

IUPAC1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(C/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)
InChIKeyKLULAEAPTZQZMV-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.22
Rot. Bonds3

About 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine

1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine (PubChem CID 548202) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine
PubChem CID548202
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(C/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)
InChIKeyKLULAEAPTZQZMV-UHFFFAOYSA-N
XLogP-0.22
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine (CID 548202) is 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine is COc1ccc(C/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine?
The InChIKey is KLULAEAPTZQZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine?
1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine has a molecular weight of 221.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(4-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 548202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).