N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide

C15H30N2O2 — CID 5288799

IUPACN-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide
SMILESC[C@@H]1CN(CCCCCCCCNC=O)C[C@H](C)O1
InChIInChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+
InChIKeyUXVBAZRPAJEAHR-GASCZTMLSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds10

About N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide

N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide (PubChem CID 5288799) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide.

Molecular Properties

Compound NameN-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide
PubChem CID5288799
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide
SMILESC[C@@H]1CN(CCCCCCCCNC=O)C[C@H](C)O1
InChIInChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+
InChIKeyUXVBAZRPAJEAHR-GASCZTMLSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide?
The IUPAC name of N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide (CID 5288799) is N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide.
What is the SMILES notation for N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide?
The canonical SMILES for N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide is C[C@@H]1CN(CCCCCCCCNC=O)C[C@H](C)O1.
What is the InChIKey of N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide?
The InChIKey is UXVBAZRPAJEAHR-GASCZTMLSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+.
What are the key properties of N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide?
N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide has a molecular weight of 270.42 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]formamide is sourced from PubChem (CID 5288799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).