[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine

C17H28N2O — CID 105267542

IUPAC[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)c(CC(CC2CCCCO2)NN)c(C)c1
InChIInChI=1S/C17H28N2O/c1-12-8-13(2)17(14(3)9-12)11-15(19-18)10-16-6-4-5-7-20-16/h8-9,15-16,19H,4-7,10-11,18H2,1-3H3
InChIKeyCTUZSCLJMBPRRX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.95
Rot. Bonds5

About [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine

[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine (PubChem CID 105267542) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
PubChem CID105267542
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)c(CC(CC2CCCCO2)NN)c(C)c1
InChIInChI=1S/C17H28N2O/c1-12-8-13(2)17(14(3)9-12)11-15(19-18)10-16-6-4-5-7-20-16/h8-9,15-16,19H,4-7,10-11,18H2,1-3H3
InChIKeyCTUZSCLJMBPRRX-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105292785
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105292666
[1-(4-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198617
[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267511
[1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105198717
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198583

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine (CID 105267542) is [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine is Cc1cc(C)c(CC(CC2CCCCO2)NN)c(C)c1.
What is the InChIKey of [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The InChIKey is CTUZSCLJMBPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-8-13(2)17(14(3)9-12)11-15(19-18)10-16-6-4-5-7-20-16/h8-9,15-16,19H,4-7,10-11,18H2,1-3H3.
What are the key properties of [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine has a molecular weight of 276.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105267542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).