1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine

C10H16N10 — CID 174811284

IUPAC1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine
SMILES[H]/N=C(\N=C(N)N)N(N=C(N)N=C(N)N)c1ccccc1
InChIInChI=1S/C10H16N10/c11-7(12)17-9(15)19-20(10(16)18-8(13)14)6-4-2-1-3-5-6/h1-5H,(H5,13,14,16,18)(H6,11,12,15,17,19)
InChIKeyPDNRIYOVHPWYBO-UHFFFAOYSA-N
MW276.31 g/mol
LogP-1.80
Rot. Bonds2

About 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine

1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine (PubChem CID 174811284) has the molecular formula C10H16N10 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine.

Molecular Properties

Compound Name1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine
PubChem CID174811284
Molecular FormulaC10H16N10
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine
SMILES[H]/N=C(\N=C(N)N)N(N=C(N)N=C(N)N)c1ccccc1
InChIInChI=1S/C10H16N10/c11-7(12)17-9(15)19-20(10(16)18-8(13)14)6-4-2-1-3-5-6/h1-5H,(H5,13,14,16,18)(H6,11,12,15,17,19)
InChIKeyPDNRIYOVHPWYBO-UHFFFAOYSA-N
XLogP-1.80
TPSA194.27 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.31
LogP ≤ 5-1.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(diaminomethylidene)-1-phenylguanidine
CID 54064404
3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine
CID 175345230
1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine
CID 70442681
1-benzyl-3-(diaminomethylidene)-1-(trifluoromethyl)guanidine;hydrochloride
CID 174865268
3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine
CID 83034891
3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
CID 115563267
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698
1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine
CID 176518410
1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;hydrochloride
CID 159416962
3-(diaminomethylidene)-1,1-bis(3,5-dichlorophenyl)guanidine
CID 118143777
3-(diaminomethylidene)-1-[1-(N-[N-(diaminomethylidene)carbamimidoyl]-3,5-dimethylanilino)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 141007128
(5-chloro-N-[N-(diaminomethylidene)carbamimidoyl]-2-methylanilino) benzenesulfonate
CID 175265499

Frequently Asked Questions

What is the IUPAC name of 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine?
The IUPAC name of 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine (CID 174811284) is 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine.
What is the SMILES notation for 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine?
The canonical SMILES for 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine is [H]/N=C(\N=C(N)N)N(N=C(N)N=C(N)N)c1ccccc1.
What is the InChIKey of 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine?
The InChIKey is PDNRIYOVHPWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N10/c11-7(12)17-9(15)19-20(10(16)18-8(13)14)6-4-2-1-3-5-6/h1-5H,(H5,13,14,16,18)(H6,11,12,15,17,19).
What are the key properties of 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine?
1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine has a molecular weight of 276.31 g/mol, XLogP of -1.80, 2 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine is sourced from PubChem (CID 174811284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).