1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine

C9H20N8 — CID 54599915

IUPAC1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine
SMILESC/N=C(\NC)N/N=C(C)\C=N\N/C(=N/C)NC
InChIInChI=1S/C9H20N8/c1-7(15-17-9(12-4)13-5)6-14-16-8(10-2)11-3/h6H,1-5H3,(H2,10,11,16)(H2,12,13,17)/b14-6+,15-7-
InChIKeyFUECJBPKFFLGGS-QSPLRUFESA-N
MW240.31 g/mol
LogP-1.06
Rot. Bonds3

About 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine

1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine (PubChem CID 54599915) has the molecular formula C9H20N8 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine
PubChem CID54599915
Molecular FormulaC9H20N8
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine
SMILESC/N=C(\NC)N/N=C(C)\C=N\N/C(=N/C)NC
InChIInChI=1S/C9H20N8/c1-7(15-17-9(12-4)13-5)6-14-16-8(10-2)11-3/h6H,1-5H3,(H2,10,11,16)(H2,12,13,17)/b14-6+,15-7-
InChIKeyFUECJBPKFFLGGS-QSPLRUFESA-N
XLogP-1.06
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
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)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
CID 10469805
3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea
CID 6411976
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)propylidene]amino]thiourea
CID 177393867
trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
CID 6800245
N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide
CID 6477573
O-methyl N-[(E)-[(2E)-2-(dimethylcarbamothioylhydrazinylidene)propylidene]amino]carbamothioate
CID 146412323
1-amino-2,3-dimethylguanidine;hydrochloride
CID 14852961
(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
CID 162732474
1-(2-hydroxyethyl)-2,3-dimethylguanidine
CID 22977239
2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6413143
1-[(E)-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]-2,3-dimethylguanidine;hydrochloride
CID 54606762
N,N'-dimethyl-2-methyliminoethanimidamide
CID 90453900

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine?
The IUPAC name of 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine (CID 54599915) is 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine is C/N=C(\NC)N/N=C(C)\C=N\N/C(=N/C)NC.
What is the InChIKey of 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine?
The InChIKey is FUECJBPKFFLGGS-QSPLRUFESA-N. The full InChI is InChI=1S/C9H20N8/c1-7(15-17-9(12-4)13-5)6-14-16-8(10-2)11-3/h6H,1-5H3,(H2,10,11,16)(H2,12,13,17)/b14-6+,15-7-.
What are the key properties of 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine?
1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine has a molecular weight of 240.31 g/mol, XLogP of -1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine is sourced from PubChem (CID 54599915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).