N-dodecylmorpholin-4-amine

C16H34N2O — CID 54414743

IUPACN-dodecylmorpholin-4-amine
SMILESCCCCCCCCCCCCNN1CCOCC1
InChIInChI=1S/C16H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-15-19-16-14-18/h17H,2-16H2,1H3
InChIKeyYUZDNKBTAJPOKM-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.74
Rot. Bonds12

About N-dodecylmorpholin-4-amine

N-dodecylmorpholin-4-amine (PubChem CID 54414743) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-dodecylmorpholin-4-amine.

Molecular Properties

Compound NameN-dodecylmorpholin-4-amine
PubChem CID54414743
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-dodecylmorpholin-4-amine
SMILESCCCCCCCCCCCCNN1CCOCC1
InChIInChI=1S/C16H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-15-19-16-14-18/h17H,2-16H2,1H3
InChIKeyYUZDNKBTAJPOKM-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-dodecylmorpholin-4-amine?
The IUPAC name of N-dodecylmorpholin-4-amine (CID 54414743) is N-dodecylmorpholin-4-amine.
What is the SMILES notation for N-dodecylmorpholin-4-amine?
The canonical SMILES for N-dodecylmorpholin-4-amine is CCCCCCCCCCCCNN1CCOCC1.
What is the InChIKey of N-dodecylmorpholin-4-amine?
The InChIKey is YUZDNKBTAJPOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-15-19-16-14-18/h17H,2-16H2,1H3.
What are the key properties of N-dodecylmorpholin-4-amine?
N-dodecylmorpholin-4-amine has a molecular weight of 270.46 g/mol, XLogP of 3.74, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylmorpholin-4-amine is sourced from PubChem (CID 54414743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).