1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine

C11H17N5O3 — CID 2730209

IUPAC1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)cc(OC)c1OC
InChIInChI=1S/C11H17N5O3/c1-17-7-4-6(15-11(14)16-10(12)13)5-8(18-2)9(7)19-3/h4-5H,1-3H3,(H6,12,13,14,15,16)
InChIKeyRIVSLRYFRNAXTI-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.07
Rot. Bonds4

About 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine

1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine (PubChem CID 2730209) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine
PubChem CID2730209
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)cc(OC)c1OC
InChIInChI=1S/C11H17N5O3/c1-17-7-4-6(15-11(14)16-10(12)13)5-8(18-2)9(7)19-3/h4-5H,1-3H3,(H6,12,13,14,15,16)
InChIKeyRIVSLRYFRNAXTI-UHFFFAOYSA-N
XLogP-0.07
TPSA130.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3,4,5-trimethoxyphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine (CID 2730209) is 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine is COc1cc(/N=C(\N)N=C(N)N)cc(OC)c1OC.
What is the InChIKey of 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine?
The InChIKey is RIVSLRYFRNAXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-17-7-4-6(15-11(14)16-10(12)13)5-8(18-2)9(7)19-3/h4-5H,1-3H3,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine?
1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine has a molecular weight of 267.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine is sourced from PubChem (CID 2730209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).