3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine

C18H36N2O — CID 13205804

IUPAC3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine
SMILESCC(CON=C1CCCCCCCCCCC1)CN(C)C
InChIInChI=1S/C18H36N2O/c1-17(15-20(2)3)16-21-19-18-13-11-9-7-5-4-6-8-10-12-14-18/h17H,4-16H2,1-3H3
InChIKeyUHPANHMVUGVYCX-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.86
Rot. Bonds5

About 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine

3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine (PubChem CID 13205804) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine
PubChem CID13205804
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine
SMILESCC(CON=C1CCCCCCCCCCC1)CN(C)C
InChIInChI=1S/C18H36N2O/c1-17(15-20(2)3)16-21-19-18-13-11-9-7-5-4-6-8-10-12-14-18/h17H,4-16H2,1-3H3
InChIKeyUHPANHMVUGVYCX-UHFFFAOYSA-N
XLogP4.86
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.86
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-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine (CID 13205804) is 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine is CC(CON=C1CCCCCCCCCCC1)CN(C)C.
What is the InChIKey of 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine?
The InChIKey is UHPANHMVUGVYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(15-20(2)3)16-21-19-18-13-11-9-7-5-4-6-8-10-12-14-18/h17H,4-16H2,1-3H3.
What are the key properties of 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine?
3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecylideneamino)oxy-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 13205804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).