[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine

C16H25IN2O — CID 105278223

IUPAC[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
SMILESCOC1(C(Cc2ccc(I)cc2)NN)CCCCCC1
InChIInChI=1S/C16H25IN2O/c1-20-16(10-4-2-3-5-11-16)15(19-18)12-13-6-8-14(17)9-7-13/h6-9,15,19H,2-5,10-12,18H2,1H3
InChIKeyUSRJKEXCXJRJMG-UHFFFAOYSA-N
MW388.29 g/mol
LogP3.40
Rot. Bonds5

About [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine

[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine (PubChem CID 105278223) has the molecular formula C16H25IN2O and a molecular weight of 388.29 g/mol. Its IUPAC name is [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
PubChem CID105278223
Molecular FormulaC16H25IN2O
Molecular Weight388.29 g/mol
Exact Mass388.10
IUPAC Name[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
SMILESCOC1(C(Cc2ccc(I)cc2)NN)CCCCCC1
InChIInChI=1S/C16H25IN2O/c1-20-16(10-4-2-3-5-11-16)15(19-18)12-13-6-8-14(17)9-7-13/h6-9,15,19H,2-5,10-12,18H2,1H3
InChIKeyUSRJKEXCXJRJMG-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278155
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714268
[2-(4-iodophenyl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105310263
[2-(3,5-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105413024
[2-(3-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105275899
[1-(1-methoxycyclobutyl)-2-thiophen-3-ylethyl]hydrazine
CID 105270433
[2-(4-chlorophenyl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278524
[2-(2-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276009
[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103044091
[1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105268693
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
The IUPAC name of [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine (CID 105278223) is [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine is COC1(C(Cc2ccc(I)cc2)NN)CCCCCC1.
What is the InChIKey of [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
The InChIKey is USRJKEXCXJRJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2O/c1-20-16(10-4-2-3-5-11-16)15(19-18)12-13-6-8-14(17)9-7-13/h6-9,15,19H,2-5,10-12,18H2,1H3.
What are the key properties of [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine has a molecular weight of 388.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine is sourced from PubChem (CID 105278223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).