1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine

C18H25ClN2O — CID 173451210

IUPAC1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine
SMILESCCC(ON=C1CCCCC1=Cc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C18H25ClN2O/c1-4-18(21(2)3)22-20-17-8-6-5-7-15(17)13-14-9-11-16(19)12-10-14/h9-13,18H,4-8H2,1-3H3
InChIKeyVFVRRLFLOFCKBF-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.97
Rot. Bonds5

About 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine

1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine (PubChem CID 173451210) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine
PubChem CID173451210
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine
SMILESCCC(ON=C1CCCCC1=Cc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C18H25ClN2O/c1-4-18(21(2)3)22-20-17-8-6-5-7-15(17)13-14-9-11-16(19)12-10-14/h9-13,18H,4-8H2,1-3H3
InChIKeyVFVRRLFLOFCKBF-UHFFFAOYSA-N
XLogP4.97
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine (CID 173451210) is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine is CCC(ON=C1CCCCC1=Cc1ccc(Cl)cc1)N(C)C.
What is the InChIKey of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is VFVRRLFLOFCKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-4-18(21(2)3)22-20-17-8-6-5-7-15(17)13-14-9-11-16(19)12-10-14/h9-13,18H,4-8H2,1-3H3.
What are the key properties of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine?
1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 320.86 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 173451210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).