2-hexylazete

C9H15N — CID 57244791

IUPAC2-hexylazete
SMILESCCCCCCC1=NC=C1
InChIInChI=1S/C9H15N/c1-2-3-4-5-6-9-7-8-10-9/h7-8H,2-6H2,1H3
InChIKeyQNRFPWWPBSWZML-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds5

About 2-hexylazete

2-hexylazete (PubChem CID 57244791) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-hexylazete.

Molecular Properties

Compound Name2-hexylazete
PubChem CID57244791
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-hexylazete
SMILESCCCCCCC1=NC=C1
InChIInChI=1S/C9H15N/c1-2-3-4-5-6-9-7-8-10-9/h7-8H,2-6H2,1H3
InChIKeyQNRFPWWPBSWZML-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylazete
CID 67261484
N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 88892313
N-ethyloct-1-en-3-imine
CID 123343256
5-Propyl-1,4-diazacyclohepta-2,4,6,7-tetraene
CID 123658403
N-[(Z)-hex-1-enyl]oct-1-en-3-imine
CID 124117736
N-methylundec-1-en-3-imine
CID 131998547
N-ethenylpent-1-en-3-imine
CID 135224296
N-dodec-1-enylbutan-2-imine
CID 141138012
N-dec-1-enylbutan-2-imine
CID 141138013
2-Butylazete
CID 142766088
2-(3-Methylbutyl)azete
CID 142775297
2-Propylazete
CID 142780387

Frequently Asked Questions

What is the IUPAC name of 2-hexylazete?
The IUPAC name of 2-hexylazete (CID 57244791) is 2-hexylazete.
What is the SMILES notation for 2-hexylazete?
The canonical SMILES for 2-hexylazete is CCCCCCC1=NC=C1.
What is the InChIKey of 2-hexylazete?
The InChIKey is QNRFPWWPBSWZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-5-6-9-7-8-10-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-hexylazete?
2-hexylazete has a molecular weight of 137.23 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylazete is sourced from PubChem (CID 57244791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).