N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine

C18H25ClN2O — CID 15124207

IUPACN-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine
SMILESCC(C)NCCO/N=C1\CCCC\C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O/c1-14(2)20-11-12-22-21-18-6-4-3-5-16(18)13-15-7-9-17(19)10-8-15/h7-10,13-14,20H,3-6,11-12H2,1-2H3/b16-13+,21-18+
InChIKeyILFVMACCVSPLIT-LGNXUOIGSA-N
MW320.86 g/mol
LogP4.67
Rot. Bonds6

About N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine

N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine (PubChem CID 15124207) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine
PubChem CID15124207
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC NameN-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine
SMILESCC(C)NCCO/N=C1\CCCC\C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O/c1-14(2)20-11-12-22-21-18-6-4-3-5-16(18)13-15-7-9-17(19)10-8-15/h7-10,13-14,20H,3-6,11-12H2,1-2H3/b16-13+,21-18+
InChIKeyILFVMACCVSPLIT-LGNXUOIGSA-N
XLogP4.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine?
The IUPAC name of N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine (CID 15124207) is N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine is CC(C)NCCO/N=C1\CCCC\C1=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine?
The InChIKey is ILFVMACCVSPLIT-LGNXUOIGSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-14(2)20-11-12-22-21-18-6-4-3-5-16(18)13-15-7-9-17(19)10-8-15/h7-10,13-14,20H,3-6,11-12H2,1-2H3/b16-13+,21-18+.
What are the key properties of N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine?
N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine has a molecular weight of 320.86 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine is sourced from PubChem (CID 15124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).