[1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine

C15H20Cl2N2 — CID 114190753

IUPAC[1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine
SMILESCC(C)(C)C#CCC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C15H20Cl2N2/c1-15(2,3)9-5-6-11(19-18)10-12-13(16)7-4-8-14(12)17/h4,7-8,11,19H,6,10,18H2,1-3H3
InChIKeyVXKHSSWDJZHRQQ-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.81
Rot. Bonds4

About [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine

[1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine (PubChem CID 114190753) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine
PubChem CID114190753
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name[1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine
SMILESCC(C)(C)C#CCC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C15H20Cl2N2/c1-15(2,3)9-5-6-11(19-18)10-12-13(16)7-4-8-14(12)17/h4,7-8,11,19H,6,10,18H2,1-3H3
InChIKeyVXKHSSWDJZHRQQ-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-1-(2,6-dichlorophenyl)pentan-2-yl]hydrazine
CID 105235514
[1-(2,6-dichlorophenyl)-4-methoxypentan-2-yl]hydrazine
CID 105266951
1-(2-chlorophenyl)-6,6-dimethylhept-4-yn-2-amine
CID 114190241
[1-(2,6-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105293201
[1-(2,6-dichlorophenyl)-4-methylidenehexan-2-yl]hydrazine
CID 105209839
1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine
CID 105209754
[1-(2,6-dichlorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105209757
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
1-(2,6-dichlorophenyl)hept-6-en-2-ylhydrazine
CID 105209700
[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209742

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine?
The IUPAC name of [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine (CID 114190753) is [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine?
The canonical SMILES for [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine is CC(C)(C)C#CCC(Cc1c(Cl)cccc1Cl)NN.
What is the InChIKey of [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine?
The InChIKey is VXKHSSWDJZHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-15(2,3)9-5-6-11(19-18)10-12-13(16)7-4-8-14(12)17/h4,7-8,11,19H,6,10,18H2,1-3H3.
What are the key properties of [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine?
[1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine has a molecular weight of 299.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine is sourced from PubChem (CID 114190753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).