1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine

C12H19N5O2 — CID 22062731

IUPAC1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine
SMILESCCOc1ccc(OCC)c(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C12H19N5O2/c1-3-18-8-5-6-10(19-4-2)9(7-8)16-12(15)17-11(13)14/h5-7H,3-4H2,1-2H3,(H6,13,14,15,16,17)
InChIKeySALADNMFDBPBKF-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.70
Rot. Bonds5

About 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine

1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine (PubChem CID 22062731) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine
PubChem CID22062731
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine
SMILESCCOc1ccc(OCC)c(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C12H19N5O2/c1-3-18-8-5-6-10(19-4-2)9(7-8)16-12(15)17-11(13)14/h5-7H,3-4H2,1-2H3,(H6,13,14,15,16,17)
InChIKeySALADNMFDBPBKF-UHFFFAOYSA-N
XLogP0.70
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
CID 29671
1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine
CID 168603538
4-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chloro-2-ethoxybenzoic acid
CID 168605912
1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine
CID 168605799
2-(4-cyano-3-ethoxyphenyl)-1-(diaminomethylidene)guanidine
CID 168603465
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2,4-diethoxybenzamide
CID 17145726
1-(diaminomethylidene)-2-(2-methyl-5-propan-2-yloxyphenyl)guanidine
CID 168605521
1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine
CID 168602521
2-[(3-chloro-4-ethoxyphenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11957305
(2,5-diethoxyphenyl)boronic acid
CID 45094210
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine (CID 22062731) is 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine is CCOc1ccc(OCC)c(/N=C(\N)N=C(N)N)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine?
The InChIKey is SALADNMFDBPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-18-8-5-6-10(19-4-2)9(7-8)16-12(15)17-11(13)14/h5-7H,3-4H2,1-2H3,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine?
1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine has a molecular weight of 265.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2,5-diethoxyphenyl)guanidine is sourced from PubChem (CID 22062731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).