[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine

C16H28N4 — CID 105261347

IUPAC[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)C2CN(C)CCCN2C)c1
InChIInChI=1S/C16H28N4/c1-12-8-13(2)10-14(9-12)16(18-17)15-11-19(3)6-5-7-20(15)4/h8-10,15-16,18H,5-7,11,17H2,1-4H3
InChIKeyRDYHRDQMQLGLOH-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.44
Rot. Bonds3

About [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine

[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine (PubChem CID 105261347) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
PubChem CID105261347
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)C2CN(C)CCCN2C)c1
InChIInChI=1S/C16H28N4/c1-12-8-13(2)10-14(9-12)16(18-17)15-11-19(3)6-5-7-20(15)4/h8-10,15-16,18H,5-7,11,17H2,1-4H3
InChIKeyRDYHRDQMQLGLOH-UHFFFAOYSA-N
XLogP1.44
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105261273
[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105261200
[(1,4-dimethylpiperazin-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105247203
3-[(1,4-dimethyl-1,4-diazepan-2-yl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105261374
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-propylphenyl)methyl]hydrazine
CID 105261179
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
[2,3-dihydro-1-benzofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261360
[(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105261259
[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261300
[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261189
[(4-tert-butylphenyl)-(1,4-dimethylpiperazin-2-yl)methyl]hydrazine
CID 105247429

Frequently Asked Questions

What is the IUPAC name of [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine (CID 105261347) is [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine is Cc1cc(C)cc(C(NN)C2CN(C)CCCN2C)c1.
What is the InChIKey of [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The InChIKey is RDYHRDQMQLGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12-8-13(2)10-14(9-12)16(18-17)15-11-19(3)6-5-7-20(15)4/h8-10,15-16,18H,5-7,11,17H2,1-4H3.
What are the key properties of [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine has a molecular weight of 276.43 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105261347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).