1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

C5H12N8 — CID 176528393

IUPAC1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
SMILES[H]/N=C(\N)NN=C(C)/C=N/N=C(N)N
InChIInChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3?
InChIKeyMXWHMTNPTTVWDM-VEPASKNESA-N
MW184.21 g/mol
LogP-1.90
Rot. Bonds3

About 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine (PubChem CID 176528393) has the molecular formula C5H12N8 and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine.

Molecular Properties

Compound Name1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
PubChem CID176528393
Molecular FormulaC5H12N8
Molecular Weight184.21 g/mol
Exact Mass184.12
IUPAC Name1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
SMILES[H]/N=C(\N)NN=C(C)/C=N/N=C(N)N
InChIInChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3?
InChIKeyMXWHMTNPTTVWDM-VEPASKNESA-N
XLogP-1.90
TPSA151.02 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176519322
methane;1-(propan-2-ylideneamino)guanidine
CID 176546052
N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane
CID 176530749
1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine
CID 176525594
1-carbamimidamidoguanidine;hydrobromide
CID 176518952
2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine
CID 44576985
1-[(E)-[(1S,3aS,7aR)-1-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3a-hydroxy-7a-methyl-1,2,3,4,6,7-hexahydroinden-5-ylidene]amino]guanidine
CID 176542978
1-N-[3,5-bis[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-3-N-[3-[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]-5-[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-5-N-methylbenzene-1,3,5-tricarboxamide
CID 176917455
1-N,3-N-bis[3,5-bis[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-5-prop-1-ynylbenzene-1,3-dicarboxamide
CID 176917457
1-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]guanidine;1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CID 176518841
1-N,5-N-bis[3-(N-carbamimidamido-C-methylcarbonimidoyl)phenyl]-3-N-[3-[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]benzene-1,3,5-tricarboxamide
CID 135431065
1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
CID 10469805

Frequently Asked Questions

What is the IUPAC name of 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
The IUPAC name of 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine (CID 176528393) is 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine.
What is the SMILES notation for 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
The canonical SMILES for 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine is [H]/N=C(\N)NN=C(C)/C=N/N=C(N)N.
What is the InChIKey of 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
The InChIKey is MXWHMTNPTTVWDM-VEPASKNESA-N. The full InChI is InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3?.
What are the key properties of 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine has a molecular weight of 184.21 g/mol, XLogP of -1.90, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine is sourced from PubChem (CID 176528393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).