[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine

C14H20Br2N2O — CID 114023446

IUPAC[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESNNC(CCCC1CCCO1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H20Br2N2O/c15-11-7-10(8-12(16)9-11)14(18-17)5-1-3-13-4-2-6-19-13/h7-9,13-14,18H,1-6,17H2
InChIKeyREHSZFPZASUTDW-UHFFFAOYSA-N
MW392.14 g/mol
LogP4.07
Rot. Bonds6

About [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine

[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine (PubChem CID 114023446) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
PubChem CID114023446
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESNNC(CCCC1CCCO1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H20Br2N2O/c15-11-7-10(8-12(16)9-11)14(18-17)5-1-3-13-4-2-6-19-13/h7-9,13-14,18H,1-6,17H2
InChIKeyREHSZFPZASUTDW-UHFFFAOYSA-N
XLogP4.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105238607
[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105222541
[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314055
1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107946069
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 107947559
[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924
[4-(oxolan-2-yl)-1-pyrimidin-2-ylbutyl]hydrazine
CID 105203720
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018
1-(4-bromo-2,6-difluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993350
[1-(4-fluoro-3-methoxyphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314077

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The IUPAC name of [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine (CID 114023446) is [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The canonical SMILES for [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine is NNC(CCCC1CCCO1)c1cc(Br)cc(Br)c1.
What is the InChIKey of [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The InChIKey is REHSZFPZASUTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c15-11-7-10(8-12(16)9-11)14(18-17)5-1-3-13-4-2-6-19-13/h7-9,13-14,18H,1-6,17H2.
What are the key properties of [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine?
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine has a molecular weight of 392.14 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 114023446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).