(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine

C9H20N2O — CID 51670774

IUPAC(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
SMILESC[C@H]1CN([C@@H](C)CN)C[C@H](C)O1
InChIInChI=1S/C9H20N2O/c1-7(4-10)11-5-8(2)12-9(3)6-11/h7-9H,4-6,10H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeyRNSSMMIAROTMLD-CIUDSAMLSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds2

About (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine (PubChem CID 51670774) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
PubChem CID51670774
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
SMILESC[C@H]1CN([C@@H](C)CN)C[C@H](C)O1
InChIInChI=1S/C9H20N2O/c1-7(4-10)11-5-8(2)12-9(3)6-11/h7-9H,4-6,10H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeyRNSSMMIAROTMLD-CIUDSAMLSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 130503163
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine
CID 124669022
1-(1-aminopropan-2-yl)azetidin-3-ol
CID 83815022
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethylpropan-1-amine
CID 104960968
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine
CID 104957955
2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol
CID 104961371
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide
CID 94782598
2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine
CID 116503923
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
CID 104958196
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62439790

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine?
The IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine (CID 51670774) is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine.
What is the SMILES notation for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine?
The canonical SMILES for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine is C[C@H]1CN([C@@H](C)CN)C[C@H](C)O1.
What is the InChIKey of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine?
The InChIKey is RNSSMMIAROTMLD-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(4-10)11-5-8(2)12-9(3)6-11/h7-9H,4-6,10H2,1-3H3/t7-,8-,9-/m0/s1.
What are the key properties of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine?
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine is sourced from PubChem (CID 51670774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).