[(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine

C14H22BrClN4 — CID 114269213

IUPAC[(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2c(Cl)cccc2Br)C1
InChIInChI=1S/C14H22BrClN4/c1-19-7-4-8-20(2)12(9-19)14(18-17)13-10(15)5-3-6-11(13)16/h3,5-6,12,14,18H,4,7-9,17H2,1-2H3
InChIKeyWFJFSLOAGODNSG-UHFFFAOYSA-N
MW361.72 g/mol
LogP2.24
Rot. Bonds3

About [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine

[(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine (PubChem CID 114269213) has the molecular formula C14H22BrClN4 and a molecular weight of 361.72 g/mol. Its IUPAC name is [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
PubChem CID114269213
Molecular FormulaC14H22BrClN4
Molecular Weight361.72 g/mol
Exact Mass360.07
IUPAC Name[(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2c(Cl)cccc2Br)C1
InChIInChI=1S/C14H22BrClN4/c1-19-7-4-8-20(2)12(9-19)14(18-17)13-10(15)5-3-6-11(13)16/h3,5-6,12,14,18H,4,7-9,17H2,1-2H3
InChIKeyWFJFSLOAGODNSG-UHFFFAOYSA-N
XLogP2.24
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 52.24
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

[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261189
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105261273
[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261300
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105261347
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105261200
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-propylphenyl)methyl]hydrazine
CID 105261179
[(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105261259
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
CID 107360102
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-phenylpropyl]hydrazine
CID 105261185

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine (CID 114269213) is [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine is CN1CCCN(C)C(C(NN)c2c(Cl)cccc2Br)C1.
What is the InChIKey of [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The InChIKey is WFJFSLOAGODNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN4/c1-19-7-4-8-20(2)12(9-19)14(18-17)13-10(15)5-3-6-11(13)16/h3,5-6,12,14,18H,4,7-9,17H2,1-2H3.
What are the key properties of [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
[(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine has a molecular weight of 361.72 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine is sourced from PubChem (CID 114269213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).