[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine

C14H22BrN3O — CID 105334479

IUPAC[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCCO1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H22BrN3O/c15-11-4-5-12(17-10-11)9-13(18-16)6-7-14-3-1-2-8-19-14/h4-5,10,13-14,18H,1-3,6-9,16H2
InChIKeyDLQZBHDKMJXHHW-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.57
Rot. Bonds6

About [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine

[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine (PubChem CID 105334479) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
PubChem CID105334479
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCCO1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H22BrN3O/c15-11-4-5-12(17-10-11)9-13(18-16)6-7-14-3-1-2-8-19-14/h4-5,10,13-14,18H,1-3,6-9,16H2
InChIKeyDLQZBHDKMJXHHW-UHFFFAOYSA-N
XLogP2.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.57
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-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105334555
2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
CID 66454874
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
[1-(3,5-dibromo-2-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105268360
[1-(1-butan-2-ylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105312572
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
1,4-bis(oxolan-2-yl)butan-2-ylhydrazine
CID 105198575
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105200125
[1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105210871
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine (CID 105334479) is [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine is NNC(CCC1CCCCO1)Cc1ccc(Br)cn1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine?
The InChIKey is DLQZBHDKMJXHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c15-11-4-5-12(17-10-11)9-13(18-16)6-7-14-3-1-2-8-19-14/h4-5,10,13-14,18H,1-3,6-9,16H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine?
[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine has a molecular weight of 328.25 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105334479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).