N-cyclohexyl-3-phenylpropan-1-imine oxide

C15H21NO — CID 11776077

IUPACN-cyclohexyl-3-phenylpropan-1-imine oxide
SMILES[O-]/[N+](=C/CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21NO/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,13,15H,2,5-7,10-12H2/b16-13+
InChIKeyNVMLPBTUAHCVNI-DTQAZKPQSA-N
MW231.34 g/mol
LogP3.53
Rot. Bonds4

About N-cyclohexyl-3-phenylpropan-1-imine oxide

N-cyclohexyl-3-phenylpropan-1-imine oxide (PubChem CID 11776077) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-cyclohexyl-3-phenylpropan-1-imine oxide.

Molecular Properties

Compound NameN-cyclohexyl-3-phenylpropan-1-imine oxide
PubChem CID11776077
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-cyclohexyl-3-phenylpropan-1-imine oxide
SMILES[O-]/[N+](=C/CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21NO/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,13,15H,2,5-7,10-12H2/b16-13+
InChIKeyNVMLPBTUAHCVNI-DTQAZKPQSA-N
XLogP3.53
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.53
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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Related Compounds

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N-cyclohexyl-N-(2-phenylethyl)formamide
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(3-cyclopentyl-3-methylbutyl)benzene
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1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
[(E)-4-cyclopropylbut-3-enyl]benzene
CID 169432340
(1-cyclohexyl-4-phenylbutan-2-yl)hydrazine
CID 105205647
[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
CID 173252623
[(E)-5-cyclohexylidenepent-3-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-phenylpropan-1-imine oxide?
The IUPAC name of N-cyclohexyl-3-phenylpropan-1-imine oxide (CID 11776077) is N-cyclohexyl-3-phenylpropan-1-imine oxide.
What is the SMILES notation for N-cyclohexyl-3-phenylpropan-1-imine oxide?
The canonical SMILES for N-cyclohexyl-3-phenylpropan-1-imine oxide is [O-]/[N+](=C/CCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-phenylpropan-1-imine oxide?
The InChIKey is NVMLPBTUAHCVNI-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H21NO/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,13,15H,2,5-7,10-12H2/b16-13+.
What are the key properties of N-cyclohexyl-3-phenylpropan-1-imine oxide?
N-cyclohexyl-3-phenylpropan-1-imine oxide has a molecular weight of 231.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-phenylpropan-1-imine oxide is sourced from PubChem (CID 11776077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).