1-phenylmethoxyhept-6-yn-3-ylhydrazine

C14H20N2O — CID 130923307

IUPAC1-phenylmethoxyhept-6-yn-3-ylhydrazine
SMILESC#CCCC(CCOCc1ccccc1)NN
InChIInChI=1S/C14H20N2O/c1-2-3-9-14(16-15)10-11-17-12-13-7-5-4-6-8-13/h1,4-8,14,16H,3,9-12,15H2
InChIKeyHSUDNDCEMWPLIL-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.84
Rot. Bonds8

About 1-phenylmethoxyhept-6-yn-3-ylhydrazine

1-phenylmethoxyhept-6-yn-3-ylhydrazine (PubChem CID 130923307) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-phenylmethoxyhept-6-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-phenylmethoxyhept-6-yn-3-ylhydrazine
PubChem CID130923307
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-phenylmethoxyhept-6-yn-3-ylhydrazine
SMILESC#CCCC(CCOCc1ccccc1)NN
InChIInChI=1S/C14H20N2O/c1-2-3-9-14(16-15)10-11-17-12-13-7-5-4-6-8-13/h1,4-8,14,16H,3,9-12,15H2
InChIKeyHSUDNDCEMWPLIL-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
1-phenoxyhex-5-yn-3-ylhydrazine
CID 105191454
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(2S)-2-(phenylmethoxycarbonylamino)hex-5-ynoic acid
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undec-10-ynoxymethoxymethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxyhept-6-yn-3-ylhydrazine?
The IUPAC name of 1-phenylmethoxyhept-6-yn-3-ylhydrazine (CID 130923307) is 1-phenylmethoxyhept-6-yn-3-ylhydrazine.
What is the SMILES notation for 1-phenylmethoxyhept-6-yn-3-ylhydrazine?
The canonical SMILES for 1-phenylmethoxyhept-6-yn-3-ylhydrazine is C#CCCC(CCOCc1ccccc1)NN.
What is the InChIKey of 1-phenylmethoxyhept-6-yn-3-ylhydrazine?
The InChIKey is HSUDNDCEMWPLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-9-14(16-15)10-11-17-12-13-7-5-4-6-8-13/h1,4-8,14,16H,3,9-12,15H2.
What are the key properties of 1-phenylmethoxyhept-6-yn-3-ylhydrazine?
1-phenylmethoxyhept-6-yn-3-ylhydrazine has a molecular weight of 232.33 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxyhept-6-yn-3-ylhydrazine is sourced from PubChem (CID 130923307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).