1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine

C11H17N5O — CID 114165563

IUPAC1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccccc1CC/N=C(\N)N=C(N)N
InChIInChI=1S/C11H17N5O/c1-17-9-5-3-2-4-8(9)6-7-15-11(14)16-10(12)13/h2-5H,6-7H2,1H3,(H6,12,13,14,15,16)
InChIKeyXXPWGVAXBDUAOH-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.17
Rot. Bonds4

About 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine

1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine (PubChem CID 114165563) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
PubChem CID114165563
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccccc1CC/N=C(\N)N=C(N)N
InChIInChI=1S/C11H17N5O/c1-17-9-5-3-2-4-8(9)6-7-15-11(14)16-10(12)13/h2-5H,6-7H2,1H3,(H6,12,13,14,15,16)
InChIKeyXXPWGVAXBDUAOH-UHFFFAOYSA-N
XLogP-0.17
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.17
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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Related Compounds

N'-[2-(2-methoxyphenyl)ethyl]propanimidamide
CID 106262572
2-[2-(4-chloro-2-methoxyphenyl)ethyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 162339868
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydrochloride
CID 11358539
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
(2-methoxyphenyl)methyl N-(diaminomethylidene)carbamimidothioate
CID 83082788
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
2-(2-methoxyphenyl)-N'-propylethanimidamide
CID 62049614
2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
CID 110062319

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine (CID 114165563) is 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine is COc1ccccc1CC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The InChIKey is XXPWGVAXBDUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-17-9-5-3-2-4-8(9)6-7-15-11(14)16-10(12)13/h2-5H,6-7H2,1H3,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine?
1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine has a molecular weight of 235.29 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 114165563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).