[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine

C14H19ClN2 — CID 106648562

IUPAC[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2/c15-13-9-5-8-12(10-13)14(17-16)11-6-3-1-2-4-7-11/h5-6,8-10,14,17H,1-4,7,16H2
InChIKeyVDUIXABWQOAVMU-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.73
Rot. Bonds3

About [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine

[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine (PubChem CID 106648562) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
PubChem CID106648562
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2/c15-13-9-5-8-12(10-13)14(17-16)11-6-3-1-2-4-7-11/h5-6,8-10,14,17H,1-4,7,16H2
InChIKeyVDUIXABWQOAVMU-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.73
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

[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106648872
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[cyclohexen-1-yl-(3,4-dimethylphenyl)methyl]hydrazine
CID 106650598
[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
[1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethyl]hydrazine
CID 105270128
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
CID 106648587
[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649721
[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 105289201

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
The IUPAC name of [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine (CID 106648562) is [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
The canonical SMILES for [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine is NNC(C1=CCCCCC1)c1cccc(Cl)c1.
What is the InChIKey of [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
The InChIKey is VDUIXABWQOAVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-13-9-5-8-12(10-13)14(17-16)11-6-3-1-2-4-7-11/h5-6,8-10,14,17H,1-4,7,16H2.
What are the key properties of [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine?
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine has a molecular weight of 250.77 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine is sourced from PubChem (CID 106648562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).