3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine

C13H28N2O — CID 104958469

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine
SMILESCCCC(N)C(CC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-5-7-12(14)13(6-2)15-8-10(3)16-11(4)9-15/h10-13H,5-9,14H2,1-4H3/t10-,11+,12?,13?
InChIKeyFOWFNXGBBBGKBA-MPEURRAXSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds5

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine (PubChem CID 104958469) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine
PubChem CID104958469
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine
SMILESCCCC(N)C(CC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-5-7-12(14)13(6-2)15-8-10(3)16-11(4)9-15/h10-13H,5-9,14H2,1-4H3/t10-,11+,12?,13?
InChIKeyFOWFNXGBBBGKBA-MPEURRAXSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine (CID 104958469) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine is CCCC(N)C(CC)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine?
The InChIKey is FOWFNXGBBBGKBA-MPEURRAXSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-12(14)13(6-2)15-8-10(3)16-11(4)9-15/h10-13H,5-9,14H2,1-4H3/t10-,11+,12?,13?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine is sourced from PubChem (CID 104958469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).