1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine

C10H13Br2N5 — CID 168601891

IUPAC1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine
SMILESCCc1cc(Br)c(/N=C(/N)N=C(N)N)c(Br)c1
InChIInChI=1S/C10H13Br2N5/c1-2-5-3-6(11)8(7(12)4-5)16-10(15)17-9(13)14/h3-4H,2H2,1H3,(H6,13,14,15,16,17)
InChIKeyPMECXHRHAHKKRU-UHFFFAOYSA-N
MW363.06 g/mol
LogP1.99
Rot. Bonds2

About 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine

1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine (PubChem CID 168601891) has the molecular formula C10H13Br2N5 and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine
PubChem CID168601891
Molecular FormulaC10H13Br2N5
Molecular Weight363.06 g/mol
Exact Mass360.95
IUPAC Name1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine
SMILESCCc1cc(Br)c(/N=C(/N)N=C(N)N)c(Br)c1
InChIInChI=1S/C10H13Br2N5/c1-2-5-3-6(11)8(7(12)4-5)16-10(15)17-9(13)14/h3-4H,2H2,1H3,(H6,13,14,15,16,17)
InChIKeyPMECXHRHAHKKRU-UHFFFAOYSA-N
XLogP1.99
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.06
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-(2,6-dibromo-4-butylphenyl)guanidine
CID 168601655
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-3,5-dibromophenyl]acetic acid
CID 168605427
1-(diaminomethylidene)-2-(4,6-dibromo-2-fluoro-3-methylphenyl)guanidine
CID 168605688
1-(diaminomethylidene)-2-(4,6-dibromo-3-chloro-2-methylphenyl)guanidine
CID 168601731
2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine
CID 23348887
methyl 2-[[amino-(diaminomethylideneamino)methylidene]amino]-3-bromo-5-methoxybenzoate
CID 168605577
4-[[amino-(diaminomethylideneamino)methylidene]amino]-3-bromo-5-methylbenzoic acid
CID 168602736
methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]-3-bromo-5-phenylmethoxybenzoate
CID 168603490
2,6-dibromo-4-ethylaniline
CID 14043928
2-(2-bromo-3,4,6-trifluorophenyl)-1-(diaminomethylidene)guanidine
CID 168605685
2-amino-3-bromo-5-ethylbenzenethiol
CID 82548295
1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine
CID 21161372

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine (CID 168601891) is 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine is CCc1cc(Br)c(/N=C(/N)N=C(N)N)c(Br)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine?
The InChIKey is PMECXHRHAHKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N5/c1-2-5-3-6(11)8(7(12)4-5)16-10(15)17-9(13)14/h3-4H,2H2,1H3,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine?
1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine has a molecular weight of 363.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2,6-dibromo-4-ethylphenyl)guanidine is sourced from PubChem (CID 168601891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).