[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine

C16H27FN4 — CID 105261332

IUPAC[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCc1cc(F)ccc1CC(NN)C1CN(C)CCCN1C
InChIInChI=1S/C16H27FN4/c1-12-9-14(17)6-5-13(12)10-15(19-18)16-11-20(2)7-4-8-21(16)3/h5-6,9,15-16,19H,4,7-8,10-11,18H2,1-3H3
InChIKeyWROQOCFSUPEGSW-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.14
Rot. Bonds4

About [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine

[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (PubChem CID 105261332) has the molecular formula C16H27FN4 and a molecular weight of 294.42 g/mol. Its IUPAC name is [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
PubChem CID105261332
Molecular FormulaC16H27FN4
Molecular Weight294.42 g/mol
Exact Mass294.22
IUPAC Name[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCc1cc(F)ccc1CC(NN)C1CN(C)CCCN1C
InChIInChI=1S/C16H27FN4/c1-12-9-14(17)6-5-13(12)10-15(19-18)16-11-20(2)7-4-8-21(16)3/h5-6,9,15-16,19H,4,7-8,10-11,18H2,1-3H3
InChIKeyWROQOCFSUPEGSW-UHFFFAOYSA-N
XLogP1.14
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.14
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

[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374270
[2-(3-chloro-4-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 103044060
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 107895279
[2-(3,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105412951
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105261273
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261330
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347344
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 105406851
[2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265865
[1-(1,4-dimethylpiperazin-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105247353

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (CID 105261332) is [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is Cc1cc(F)ccc1CC(NN)C1CN(C)CCCN1C.
What is the InChIKey of [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The InChIKey is WROQOCFSUPEGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4/c1-12-9-14(17)6-5-13(12)10-15(19-18)16-11-20(2)7-4-8-21(16)3/h5-6,9,15-16,19H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine has a molecular weight of 294.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105261332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).