[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine

C14H29N3O — CID 105245202

IUPAC[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine
SMILESCC(C)CCCC(NN)C1CN2CCCC2CO1
InChIInChI=1S/C14H29N3O/c1-11(2)5-3-7-13(16-15)14-9-17-8-4-6-12(17)10-18-14/h11-14,16H,3-10,15H2,1-2H3
InChIKeyFPDHVLMZCUTIQP-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.51
Rot. Bonds6

About [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine

[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine (PubChem CID 105245202) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine
PubChem CID105245202
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine
SMILESCC(C)CCCC(NN)C1CN2CCCC2CO1
InChIInChI=1S/C14H29N3O/c1-11(2)5-3-7-13(16-15)14-9-17-8-4-6-12(17)10-18-14/h11-14,16H,3-10,15H2,1-2H3
InChIKeyFPDHVLMZCUTIQP-UHFFFAOYSA-N
XLogP1.51
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine?
The IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine (CID 105245202) is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine.
What is the SMILES notation for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine?
The canonical SMILES for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine is CC(C)CCCC(NN)C1CN2CCCC2CO1.
What is the InChIKey of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine?
The InChIKey is FPDHVLMZCUTIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)5-3-7-13(16-15)14-9-17-8-4-6-12(17)10-18-14/h11-14,16H,3-10,15H2,1-2H3.
What are the key properties of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine?
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine has a molecular weight of 255.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-methylhexyl]hydrazine is sourced from PubChem (CID 105245202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).