[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine

C13H27N3O — CID 105265704

IUPAC[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H27N3O/c1-3-6-17-9-13(15-14)10-7-11-4-5-12(8-10)16(11)2/h10-13,15H,3-9,14H2,1-2H3
InChIKeyVKTXNGAULZTFPE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.12
Rot. Bonds6

About [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine

[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine (PubChem CID 105265704) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine
PubChem CID105265704
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H27N3O/c1-3-6-17-9-13(15-14)10-7-11-4-5-12(8-10)16(11)2/h10-13,15H,3-9,14H2,1-2H3
InChIKeyVKTXNGAULZTFPE-UHFFFAOYSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine?
The IUPAC name of [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine (CID 105265704) is [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine.
What is the SMILES notation for [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine?
The canonical SMILES for [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine is CCCOCC(NN)C1CC2CCC(C1)N2C.
What is the InChIKey of [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine?
The InChIKey is VKTXNGAULZTFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-6-17-9-13(15-14)10-7-11-4-5-12(8-10)16(11)2/h10-13,15H,3-9,14H2,1-2H3.
What are the key properties of [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine?
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine has a molecular weight of 241.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-propoxyethyl]hydrazine is sourced from PubChem (CID 105265704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).