1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine

C13H17ClN2 — CID 105197717

IUPAC1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine
SMILESCC#CCCC(Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C13H17ClN2/c1-2-3-4-5-13(16-15)10-11-6-8-12(14)9-7-11/h6-9,13,16H,4-5,10,15H2,1H3
InChIKeyPYSUUZMBZCAXAI-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine

1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine (PubChem CID 105197717) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine
PubChem CID105197717
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine
SMILESCC#CCCC(Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C13H17ClN2/c1-2-3-4-5-13(16-15)10-11-6-8-12(14)9-7-11/h6-9,13,16H,4-5,10,15H2,1H3
InChIKeyPYSUUZMBZCAXAI-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.52
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

1-(4-bromophenyl)hept-5-yn-2-ylhydrazine
CID 105195601
1-(4-chlorophenoxy)hept-5-yn-2-ylhydrazine
CID 105334964
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259401
[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
[1-(4-chlorophenyl)-4-cyclopropylbutan-2-yl]hydrazine
CID 105197715
N-[1-(4-chlorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 104928140
[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206174
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
CID 104804732
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
[1-(4-chlorophenyl)-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105197643
[1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105287885

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine?
The IUPAC name of 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine (CID 105197717) is 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine?
The canonical SMILES for 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine is CC#CCCC(Cc1ccc(Cl)cc1)NN.
What is the InChIKey of 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine?
The InChIKey is PYSUUZMBZCAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-2-3-4-5-13(16-15)10-11-6-8-12(14)9-7-11/h6-9,13,16H,4-5,10,15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine?
1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine has a molecular weight of 236.75 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine is sourced from PubChem (CID 105197717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).