N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine

C23H36N2O — CID 14752000

IUPACN-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCO/N=C1\CCCCCC\C1=C/c1ccccc1)C(C)C
InChIInChI=1S/C23H36N2O/c1-19(2)25(20(3)4)16-17-26-24-23-15-11-6-5-10-14-22(23)18-21-12-8-7-9-13-21/h7-9,12-13,18-20H,5-6,10-11,14-17H2,1-4H3/b22-18+,24-23+
InChIKeyRTXWBBAKLZMTJO-HIPBKVDJSA-N
MW356.55 g/mol
LogP5.92
Rot. Bonds7

About N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 14752000) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID14752000
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC NameN-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCO/N=C1\CCCCCC\C1=C/c1ccccc1)C(C)C
InChIInChI=1S/C23H36N2O/c1-19(2)25(20(3)4)16-17-26-24-23-15-11-6-5-10-14-22(23)18-21-12-8-7-9-13-21/h7-9,12-13,18-20H,5-6,10-11,14-17H2,1-4H3/b22-18+,24-23+
InChIKeyRTXWBBAKLZMTJO-HIPBKVDJSA-N
XLogP5.92
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.92
H-Bond Donors ≤ 50
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-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine (CID 14752000) is N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCO/N=C1\CCCCCC\C1=C/c1ccccc1)C(C)C.
What is the InChIKey of N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is RTXWBBAKLZMTJO-HIPBKVDJSA-N. The full InChI is InChI=1S/C23H36N2O/c1-19(2)25(20(3)4)16-17-26-24-23-15-11-6-5-10-14-22(23)18-21-12-8-7-9-13-21/h7-9,12-13,18-20H,5-6,10-11,14-17H2,1-4H3/b22-18+,24-23+.
What are the key properties of N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 356.55 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14752000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).