N-butoxycyclohexanimine

C10H19NO — CID 12614250

IUPACN-butoxycyclohexanimine
SMILESCCCCON=C1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-3-9-12-11-10-7-5-4-6-8-10/h2-9H2,1H3
InChIKeyRIKHQVHRBJSYSY-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.12
Rot. Bonds4

About N-butoxycyclohexanimine

N-butoxycyclohexanimine (PubChem CID 12614250) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-butoxycyclohexanimine.

Molecular Properties

Compound NameN-butoxycyclohexanimine
PubChem CID12614250
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-butoxycyclohexanimine
SMILESCCCCON=C1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-3-9-12-11-10-7-5-4-6-8-10/h2-9H2,1H3
InChIKeyRIKHQVHRBJSYSY-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.12
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-butoxycyclohexanimine?
The IUPAC name of N-butoxycyclohexanimine (CID 12614250) is N-butoxycyclohexanimine.
What is the SMILES notation for N-butoxycyclohexanimine?
The canonical SMILES for N-butoxycyclohexanimine is CCCCON=C1CCCCC1.
What is the InChIKey of N-butoxycyclohexanimine?
The InChIKey is RIKHQVHRBJSYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-9-12-11-10-7-5-4-6-8-10/h2-9H2,1H3.
What are the key properties of N-butoxycyclohexanimine?
N-butoxycyclohexanimine has a molecular weight of 169.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxycyclohexanimine is sourced from PubChem (CID 12614250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).