[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine

C16H19N3O2 — CID 105302915

IUPAC[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ncccc1C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H19N3O2/c1-11-13(4-2-7-18-11)16(19-17)12-5-6-14-15(10-12)21-9-3-8-20-14/h2,4-7,10,16,19H,3,8-9,17H2,1H3
InChIKeyUAYGGKAGWXNOFG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.10
Rot. Bonds3

About [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine

[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine (PubChem CID 105302915) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
PubChem CID105302915
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ncccc1C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H19N3O2/c1-11-13(4-2-7-18-11)16(19-17)12-5-6-14-15(10-12)21-9-3-8-20-14/h2,4-7,10,16,19H,3,8-9,17H2,1H3
InChIKeyUAYGGKAGWXNOFG-UHFFFAOYSA-N
XLogP2.10
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methanol
CID 105094321
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
CID 105141089
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031820
[(2-methyl-3-pyridinyl)-quinolin-7-ylmethyl]hydrazine
CID 105327542
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
[(3-ethylphenyl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105326300
[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105301067
[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105223458
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105302944
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43482090
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105212034
[(2,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105216684

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine (CID 105302915) is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine is Cc1ncccc1C(NN)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine?
The InChIKey is UAYGGKAGWXNOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-13(4-2-7-18-11)16(19-17)12-5-6-14-15(10-12)21-9-3-8-20-14/h2,4-7,10,16,19H,3,8-9,17H2,1H3.
What are the key properties of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine?
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine has a molecular weight of 285.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105302915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).