N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide

C15H36N8S2 — CID 143079960

IUPACN,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCSCCCSCCC(C)(C)/C(=N/N)NN)/C(=N/N)NN
InChIInChI=1S/C15H36N8S2/c1-14(2,12(20-16)21-17)6-10-24-8-5-9-25-11-7-15(3,4)13(22-18)23-19/h5-11,16-19H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyJCRXVWWZBPUHDG-UHFFFAOYSA-N
MW392.64 g/mol
LogP1.15
Rot. Bonds12

About N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide

N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide (PubChem CID 143079960) has the molecular formula C15H36N8S2 and a molecular weight of 392.64 g/mol. Its IUPAC name is N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide
PubChem CID143079960
Molecular FormulaC15H36N8S2
Molecular Weight392.64 g/mol
Exact Mass392.25
IUPAC NameN,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCSCCCSCCC(C)(C)/C(=N/N)NN)/C(=N/N)NN
InChIInChI=1S/C15H36N8S2/c1-14(2,12(20-16)21-17)6-10-24-8-5-9-25-11-7-15(3,4)13(22-18)23-19/h5-11,16-19H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyJCRXVWWZBPUHDG-UHFFFAOYSA-N
XLogP1.15
TPSA152.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.64
LogP ≤ 51.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide?
The IUPAC name of N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide (CID 143079960) is N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide?
The canonical SMILES for N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide is CC(C)(CCSCCCSCCC(C)(C)/C(=N/N)NN)/C(=N/N)NN.
What is the InChIKey of N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide?
The InChIKey is JCRXVWWZBPUHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N8S2/c1-14(2,12(20-16)21-17)6-10-24-8-5-9-25-11-7-15(3,4)13(22-18)23-19/h5-11,16-19H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide?
N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide has a molecular weight of 392.64 g/mol, XLogP of 1.15, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-[3-[(4Z)-4-hydrazinyl-4-hydrazinylidene-3,3-dimethylbutyl]sulfanylpropylsulfanyl]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 143079960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).