3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine

C16H32N2O — CID 3061107

IUPAC3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine
SMILESCCCCC1CCCCC1=NOCC(C)CN(C)C
InChIInChI=1S/C16H32N2O/c1-5-6-9-15-10-7-8-11-16(15)17-19-13-14(2)12-18(3)4/h14-15H,5-13H2,1-4H3
InChIKeyHOPVIDARLDVMDI-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.94
Rot. Bonds8

About 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine

3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine (PubChem CID 3061107) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine
PubChem CID3061107
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine
SMILESCCCCC1CCCCC1=NOCC(C)CN(C)C
InChIInChI=1S/C16H32N2O/c1-5-6-9-15-10-7-8-11-16(15)17-19-13-14(2)12-18(3)4/h14-15H,5-13H2,1-4H3
InChIKeyHOPVIDARLDVMDI-UHFFFAOYSA-N
XLogP3.94
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine (CID 3061107) is 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine is CCCCC1CCCCC1=NOCC(C)CN(C)C.
What is the InChIKey of 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine?
The InChIKey is HOPVIDARLDVMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-6-9-15-10-7-8-11-16(15)17-19-13-14(2)12-18(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine?
3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 3061107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).