(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine

C10H22N2O — CID 28597475

IUPAC(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
SMILESCC(C)[C@H](N)CN1CCO[C@@H](C)C1
InChIInChI=1S/C10H22N2O/c1-8(2)10(11)7-12-4-5-13-9(3)6-12/h8-10H,4-7,11H2,1-3H3/t9-,10+/m0/s1
InChIKeyFIKZDWDGZOTGBH-VHSXEESVSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds3

About (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine

(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine (PubChem CID 28597475) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
PubChem CID28597475
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
SMILESCC(C)[C@H](N)CN1CCO[C@@H](C)C1
InChIInChI=1S/C10H22N2O/c1-8(2)10(11)7-12-4-5-13-9(3)6-12/h8-10H,4-7,11H2,1-3H3/t9-,10+/m0/s1
InChIKeyFIKZDWDGZOTGBH-VHSXEESVSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3,3-dimethyl-1-(2-methylmorpholin-4-yl)butan-2-amine
CID 130522025
ethane;2-methyl-4-(2-methylpropyl)morpholine
CID 156652353
2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
CID 43174922
1-(2-methylmorpholin-4-yl)propan-2-ol
CID 60886312
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
CID 130522014
(2S)-4-[(2S)-3-methoxy-2-methylpropyl]-2-methylmorpholine
CID 121401096
1-(2-methylmorpholin-4-yl)butan-2-ol
CID 60886313
2-[(2-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 65228493
1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 63621228
2-amino-3-(2-methyl-1,4-oxazepan-4-yl)propanoic acid
CID 62972400
2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
CID 130593590
2-(methylamino)-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64797801

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine?
The IUPAC name of (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine (CID 28597475) is (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine is CC(C)[C@H](N)CN1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine?
The InChIKey is FIKZDWDGZOTGBH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(11)7-12-4-5-13-9(3)6-12/h8-10H,4-7,11H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine?
(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine is sourced from PubChem (CID 28597475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).