N-pentoxyhexan-1-imine

C11H23NO — CID 59883278

IUPACN-pentoxyhexan-1-imine
SMILESCCCCCC=NOCCCCC
InChIInChI=1S/C11H23NO/c1-3-5-7-8-10-12-13-11-9-6-4-2/h10H,3-9,11H2,1-2H3
InChIKeyFRXXEKFCPXKCLV-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.76
Rot. Bonds9

About N-pentoxyhexan-1-imine

N-pentoxyhexan-1-imine (PubChem CID 59883278) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-pentoxyhexan-1-imine.

Molecular Properties

Compound NameN-pentoxyhexan-1-imine
PubChem CID59883278
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-pentoxyhexan-1-imine
SMILESCCCCCC=NOCCCCC
InChIInChI=1S/C11H23NO/c1-3-5-7-8-10-12-13-11-9-6-4-2/h10H,3-9,11H2,1-2H3
InChIKeyFRXXEKFCPXKCLV-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-pentoxyhexan-1-imine?
The IUPAC name of N-pentoxyhexan-1-imine (CID 59883278) is N-pentoxyhexan-1-imine.
What is the SMILES notation for N-pentoxyhexan-1-imine?
The canonical SMILES for N-pentoxyhexan-1-imine is CCCCCC=NOCCCCC.
What is the InChIKey of N-pentoxyhexan-1-imine?
The InChIKey is FRXXEKFCPXKCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-7-8-10-12-13-11-9-6-4-2/h10H,3-9,11H2,1-2H3.
What are the key properties of N-pentoxyhexan-1-imine?
N-pentoxyhexan-1-imine has a molecular weight of 185.31 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentoxyhexan-1-imine is sourced from PubChem (CID 59883278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).