[1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine

C14H22N2O — CID 105205425

IUPAC[1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine
SMILESC=C(C)CCC(Cc1ccc(OC)cc1)NN
InChIInChI=1S/C14H22N2O/c1-11(2)4-7-13(16-15)10-12-5-8-14(17-3)9-6-12/h5-6,8-9,13,16H,1,4,7,10,15H2,2-3H3
InChIKeyBXWNDWBOCSGYGI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.43
Rot. Bonds7

About [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine

[1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine (PubChem CID 105205425) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine
PubChem CID105205425
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine
SMILESC=C(C)CCC(Cc1ccc(OC)cc1)NN
InChIInChI=1S/C14H22N2O/c1-11(2)4-7-13(16-15)10-12-5-8-14(17-3)9-6-12/h5-6,8-9,13,16H,1,4,7,10,15H2,2-3H3
InChIKeyBXWNDWBOCSGYGI-UHFFFAOYSA-N
XLogP2.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine?
The IUPAC name of [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine (CID 105205425) is [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine?
The canonical SMILES for [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine is C=C(C)CCC(Cc1ccc(OC)cc1)NN.
What is the InChIKey of [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine?
The InChIKey is BXWNDWBOCSGYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)4-7-13(16-15)10-12-5-8-14(17-3)9-6-12/h5-6,8-9,13,16H,1,4,7,10,15H2,2-3H3.
What are the key properties of [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine?
[1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine has a molecular weight of 234.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-methylhex-5-en-2-yl]hydrazine is sourced from PubChem (CID 105205425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).