1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine

C10H15N5O — CID 29671

IUPAC1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
SMILESCCOc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-2-16-8-5-3-7(4-6-8)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H6,11,12,13,14,15)
InChIKeyCHEQLSSMGDBGBI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.30
Rot. Bonds3

About 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine

1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine (PubChem CID 29671) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
PubChem CID29671
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
SMILESCCOc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-2-16-8-5-3-7(4-6-8)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H6,11,12,13,14,15)
InChIKeyCHEQLSSMGDBGBI-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
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

2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenoxy]ethyl-trimethylazanium
CID 168605345
1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine
CID 22062731
4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
CID 3849163
(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
CID 6809323
1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine
CID 168603952
ethyl 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetate
CID 168605980
2-(4-cyano-3-ethoxyphenyl)-1-(diaminomethylidene)guanidine
CID 168603465
2-(4-ethoxyphenyl)-1,1,3,3-tetramethylguanidine
CID 525247
1-(diaminomethylidene)-2-[4-(2-methylbutan-2-yl)phenyl]guanidine
CID 54118391
N'-(4-ethoxyphenyl)pyridine-4-carboximidamide
CID 12826054
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
CID 168604796

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine (CID 29671) is 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine is CCOc1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine?
The InChIKey is CHEQLSSMGDBGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-16-8-5-3-7(4-6-8)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine?
1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine has a molecular weight of 221.26 g/mol, XLogP of 0.30, 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-ethoxyphenyl)guanidine is sourced from PubChem (CID 29671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).