N-cyclohexylpropan-1-imine oxide

C9H17NO — CID 5364527

IUPACN-cyclohexylpropan-1-imine oxide
SMILESCC/C=[N+](\[O-])C1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-8-10(11)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyBVELYMVZNXJZMA-NTMALXAHSA-N
MW155.24 g/mol
LogP2.31
Rot. Bonds2

About N-cyclohexylpropan-1-imine oxide

N-cyclohexylpropan-1-imine oxide (PubChem CID 5364527) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-cyclohexylpropan-1-imine oxide.

Molecular Properties

Compound NameN-cyclohexylpropan-1-imine oxide
PubChem CID5364527
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-cyclohexylpropan-1-imine oxide
SMILESCC/C=[N+](\[O-])C1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-8-10(11)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyBVELYMVZNXJZMA-NTMALXAHSA-N
XLogP2.31
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpropan-1-imine oxide?
The IUPAC name of N-cyclohexylpropan-1-imine oxide (CID 5364527) is N-cyclohexylpropan-1-imine oxide.
What is the SMILES notation for N-cyclohexylpropan-1-imine oxide?
The canonical SMILES for N-cyclohexylpropan-1-imine oxide is CC/C=[N+](\[O-])C1CCCCC1.
What is the InChIKey of N-cyclohexylpropan-1-imine oxide?
The InChIKey is BVELYMVZNXJZMA-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8-10(11)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-.
What are the key properties of N-cyclohexylpropan-1-imine oxide?
N-cyclohexylpropan-1-imine oxide has a molecular weight of 155.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpropan-1-imine oxide is sourced from PubChem (CID 5364527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).