(3-methyl-1-phenylbut-3-enyl)hydrazine

C11H16N2 — CID 105199371

IUPAC(3-methyl-1-phenylbut-3-enyl)hydrazine
SMILESC=C(C)CC(NN)c1ccccc1
InChIInChI=1S/C11H16N2/c1-9(2)8-11(13-12)10-6-4-3-5-7-10/h3-7,11,13H,1,8,12H2,2H3
InChIKeyCLJICNFWINUZQT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.16
Rot. Bonds4

About (3-methyl-1-phenylbut-3-enyl)hydrazine

(3-methyl-1-phenylbut-3-enyl)hydrazine (PubChem CID 105199371) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3-methyl-1-phenylbut-3-enyl)hydrazine.

Molecular Properties

Compound Name(3-methyl-1-phenylbut-3-enyl)hydrazine
PubChem CID105199371
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3-methyl-1-phenylbut-3-enyl)hydrazine
SMILESC=C(C)CC(NN)c1ccccc1
InChIInChI=1S/C11H16N2/c1-9(2)8-11(13-12)10-6-4-3-5-7-10/h3-7,11,13H,1,8,12H2,2H3
InChIKeyCLJICNFWINUZQT-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
CID 105194172
(3-methylidene-1-phenylpentyl)hydrazine
CID 105199375
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
[1-(furan-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105221417
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
[3-methyl-1-(5-methylfuran-3-yl)but-3-enyl]hydrazine
CID 105319592
[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105262533
[1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319578
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylbut-3-enyl)hydrazine?
The IUPAC name of (3-methyl-1-phenylbut-3-enyl)hydrazine (CID 105199371) is (3-methyl-1-phenylbut-3-enyl)hydrazine.
What is the SMILES notation for (3-methyl-1-phenylbut-3-enyl)hydrazine?
The canonical SMILES for (3-methyl-1-phenylbut-3-enyl)hydrazine is C=C(C)CC(NN)c1ccccc1.
What is the InChIKey of (3-methyl-1-phenylbut-3-enyl)hydrazine?
The InChIKey is CLJICNFWINUZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)8-11(13-12)10-6-4-3-5-7-10/h3-7,11,13H,1,8,12H2,2H3.
What are the key properties of (3-methyl-1-phenylbut-3-enyl)hydrazine?
(3-methyl-1-phenylbut-3-enyl)hydrazine has a molecular weight of 176.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenylbut-3-enyl)hydrazine is sourced from PubChem (CID 105199371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).