[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine

C13H25F3N2O — CID 105338042

IUPAC[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCOCCC(C)C(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-9(7-8-19-2)12(18-17)10-3-5-11(6-4-10)13(14,15)16/h9-12,18H,3-8,17H2,1-2H3
InChIKeySYNGTRAZZFYGCQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.86
Rot. Bonds6

About [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine

[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine (PubChem CID 105338042) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
PubChem CID105338042
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCOCCC(C)C(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-9(7-8-19-2)12(18-17)10-3-5-11(6-4-10)13(14,15)16/h9-12,18H,3-8,17H2,1-2H3
InChIKeySYNGTRAZZFYGCQ-UHFFFAOYSA-N
XLogP2.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.86
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-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185029
[1-(4-butylcyclohexyl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337858
[1-(4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutyl]hydrazine
CID 105231613
[2-methyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 105281756
[4-methoxy-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butyl]hydrazine
CID 105338060
[4-methoxy-2-methyl-1-(oxan-2-yl)butyl]hydrazine
CID 105337937
2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
CID 116500631
[(4-ethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313107
N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82714410
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044588
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
2-cyclopropyl-6-methoxy-4-methylhexan-3-ol
CID 115836210

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The IUPAC name of [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine (CID 105338042) is [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine.
What is the SMILES notation for [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The canonical SMILES for [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine is COCCC(C)C(NN)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The InChIKey is SYNGTRAZZFYGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-9(7-8-19-2)12(18-17)10-3-5-11(6-4-10)13(14,15)16/h9-12,18H,3-8,17H2,1-2H3.
What are the key properties of [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine has a molecular weight of 282.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine is sourced from PubChem (CID 105338042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).