[6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine

C13H22N4 — CID 80930360

IUPAC[6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine
SMILESCC1(C)CCCN(c2cccc(NN)n2)CC1
InChIInChI=1S/C13H22N4/c1-13(2)7-4-9-17(10-8-13)12-6-3-5-11(15-12)16-14/h3,5-6H,4,7-10,14H2,1-2H3,(H,15,16)
InChIKeyYWKQCLAQSYPTNI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.38
Rot. Bonds2

About [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine

[6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine (PubChem CID 80930360) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine
PubChem CID80930360
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine
SMILESCC1(C)CCCN(c2cccc(NN)n2)CC1
InChIInChI=1S/C13H22N4/c1-13(2)7-4-9-17(10-8-13)12-6-3-5-11(15-12)16-14/h3,5-6H,4,7-10,14H2,1-2H3,(H,15,16)
InChIKeyYWKQCLAQSYPTNI-UHFFFAOYSA-N
XLogP2.38
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine (CID 80930360) is [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine is CC1(C)CCCN(c2cccc(NN)n2)CC1.
What is the InChIKey of [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine?
The InChIKey is YWKQCLAQSYPTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2)7-4-9-17(10-8-13)12-6-3-5-11(15-12)16-14/h3,5-6H,4,7-10,14H2,1-2H3,(H,15,16).
What are the key properties of [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine?
[6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine has a molecular weight of 234.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 80930360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).