pentylhydrazine;quinoline

C14H21N3 — CID 175186682

IUPACpentylhydrazine;quinoline
SMILESCCCCCNN.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H14N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5-7-6/h1-7H;7H,2-6H2,1H3
InChIKeyPDJVIIBVKYEPEB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.87
Rot. Bonds4

About pentylhydrazine;quinoline

pentylhydrazine;quinoline (PubChem CID 175186682) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is pentylhydrazine;quinoline.

Molecular Properties

Compound Namepentylhydrazine;quinoline
PubChem CID175186682
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Namepentylhydrazine;quinoline
SMILESCCCCCNN.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H14N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5-7-6/h1-7H;7H,2-6H2,1H3
InChIKeyPDJVIIBVKYEPEB-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.87
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'}

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Frequently Asked Questions

What is the IUPAC name of pentylhydrazine;quinoline?
The IUPAC name of pentylhydrazine;quinoline (CID 175186682) is pentylhydrazine;quinoline.
What is the SMILES notation for pentylhydrazine;quinoline?
The canonical SMILES for pentylhydrazine;quinoline is CCCCCNN.c1ccc2ncccc2c1.
What is the InChIKey of pentylhydrazine;quinoline?
The InChIKey is PDJVIIBVKYEPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C5H14N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-4-5-7-6/h1-7H;7H,2-6H2,1H3.
What are the key properties of pentylhydrazine;quinoline?
pentylhydrazine;quinoline has a molecular weight of 231.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentylhydrazine;quinoline is sourced from PubChem (CID 175186682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).