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

C13H25N3 — CID 105265895

IUPAC[3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H25N3/c1-9(2)6-13(15-14)10-7-11-4-5-12(8-10)16(11)3/h6,10-13,15H,4-5,7-8,14H2,1-3H3
InChIKeyIICYDWZMAVYSBO-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.66
Rot. Bonds3

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

[3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine (PubChem CID 105265895) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine
PubChem CID105265895
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name[3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H25N3/c1-9(2)6-13(15-14)10-7-11-4-5-12(8-10)16(11)3/h6,10-13,15H,4-5,7-8,14H2,1-3H3
InChIKeyIICYDWZMAVYSBO-UHFFFAOYSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-Pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene
CID 143720884
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
CID 176569229
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)hex-5-enylhydrazine
CID 105265711
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-enylhydrazine
CID 105265714
[4-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-enyl]hydrazine
CID 105265773
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-enylhydrazine
CID 105265784
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enylhydrazine
CID 105265825
[3-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine
CID 105265873
[1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylidenepentyl]hydrazine
CID 105265877
[2-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-enyl]hydrazine
CID 105265878
3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 106314982
[1-(Cyclohexen-1-yl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 106649157

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine (CID 105265895) is [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine is CC(C)=CC(NN)C1CC2CCC(C1)N2C.
What is the InChIKey of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine?
The InChIKey is IICYDWZMAVYSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)6-13(15-14)10-7-11-4-5-12(8-10)16(11)3/h6,10-13,15H,4-5,7-8,14H2,1-3H3.
What are the key properties of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine?
[3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine has a molecular weight of 223.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine is sourced from PubChem (CID 105265895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).