(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine

C11H24N2O — CID 130522014

IUPAC(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
SMILESCC1CN(C[C@@H](N)C(C)C)CC(C)O1
InChIInChI=1S/C11H24N2O/c1-8(2)11(12)7-13-5-9(3)14-10(4)6-13/h8-11H,5-7,12H2,1-4H3/t9?,10?,11-/m1/s1
InChIKeyRJIKSUQLRVKBAC-VQXHTEKXSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds3

About (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine

(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine (PubChem CID 130522014) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
PubChem CID130522014
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
SMILESCC1CN(C[C@@H](N)C(C)C)CC(C)O1
InChIInChI=1S/C11H24N2O/c1-8(2)11(12)7-13-5-9(3)14-10(4)6-13/h8-11H,5-7,12H2,1-4H3/t9?,10?,11-/m1/s1
InChIKeyRJIKSUQLRVKBAC-VQXHTEKXSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
CID 28597475
2-amino-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 64797367
4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
CID 65011894
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104959272
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-amine
CID 104959190
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine
CID 104959201
(2R,6S)-4-(2,2-dimethoxyethyl)-2,6-dimethylmorpholine
CID 104959389
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine
CID 104959123
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanehydrazide
CID 104961276
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
CID 65015766

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine (CID 130522014) is (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine is CC1CN(C[C@@H](N)C(C)C)CC(C)O1.
What is the InChIKey of (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine?
The InChIKey is RJIKSUQLRVKBAC-VQXHTEKXSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)11(12)7-13-5-9(3)14-10(4)6-13/h8-11H,5-7,12H2,1-4H3/t9?,10?,11-/m1/s1.
What are the key properties of (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine?
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 130522014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).