1-(3,4-dichlorophenyl)heptan-2-ylhydrazine

C13H20Cl2N2 — CID 105210910

IUPAC1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C13H20Cl2N2/c1-2-3-4-5-11(17-16)8-10-6-7-12(14)13(15)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyLLOOQNJKTRXPAU-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.95
Rot. Bonds7

About 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine

1-(3,4-dichlorophenyl)heptan-2-ylhydrazine (PubChem CID 105210910) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
PubChem CID105210910
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C13H20Cl2N2/c1-2-3-4-5-11(17-16)8-10-6-7-12(14)13(15)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyLLOOQNJKTRXPAU-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105225978
1-(2,5-dichlorophenyl)undecan-2-ylhydrazine
CID 105309812
[1-(3,4-dichlorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225610
1,2-dichloro-4-(2-chlorononyl)benzene
CID 55223341
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105210859
1-(3-methylphenyl)undecan-2-ylhydrazine
CID 105208921
1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine?
The IUPAC name of 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine (CID 105210910) is 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine is CCCCCC(Cc1ccc(Cl)c(Cl)c1)NN.
What is the InChIKey of 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine?
The InChIKey is LLOOQNJKTRXPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-2-3-4-5-11(17-16)8-10-6-7-12(14)13(15)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine?
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine has a molecular weight of 275.22 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)heptan-2-ylhydrazine is sourced from PubChem (CID 105210910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).