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

C13H28N2O — CID 104960616

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(C)C(C)(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-10-7-15(8-11(2)16-10)9-13(4,5)12(3)14-6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12?
InChIKeyUMPWEDRQJZSXHH-FOSCPWQOSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds4

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

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine (PubChem CID 104960616) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
PubChem CID104960616
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(C)C(C)(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-10-7-15(8-11(2)16-10)9-13(4,5)12(3)14-6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12?
InChIKeyUMPWEDRQJZSXHH-FOSCPWQOSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
4-(Morpholin-4-yl)butan-2-amine
CID 16767299
3-(Morpholin-4-yl)butan-1-amine
CID 20069556
(3S)-3-tert-Butylmorpholine
CID 53338726
1-(4-Methylmorpholin-2-yl)ethan-1-amine
CID 68190774
2-(Tert-butyl)morpholine hydrochloride
CID 86812526
2-Tert-butylmorpholine
CID 19078709
3,3-Dimethyl-1-(morpholin-4-yl)butan-2-amine
CID 16788911
(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-amine
CID 30817605
3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine
CID 86804297
2-(1-Fluoro-2-methylpropan-2-yl)morpholine
CID 154634667
N-[[4-(2-fluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 156334456

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine (CID 104960616) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine is CNC(C)C(C)(C)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is UMPWEDRQJZSXHH-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10-7-15(8-11(2)16-10)9-13(4,5)12(3)14-6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 104960616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).