(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine

C9H20N2O — CID 130522087

IUPAC(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
SMILESCC[C@@H](N)CN1CCOCC1C
InChIInChI=1S/C9H20N2O/c1-3-9(10)6-11-4-5-12-7-8(11)2/h8-9H,3-7,10H2,1-2H3/t8?,9-/m1/s1
InChIKeyDMIRSAWHNZAIKR-YGPZHTELSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds3

About (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine

(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine (PubChem CID 130522087) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
PubChem CID130522087
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
SMILESCC[C@@H](N)CN1CCOCC1C
InChIInChI=1S/C9H20N2O/c1-3-9(10)6-11-4-5-12-7-8(11)2/h8-9H,3-7,10H2,1-2H3/t8?,9-/m1/s1
InChIKeyDMIRSAWHNZAIKR-YGPZHTELSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4-(2-fluorobutyl)-3-methylmorpholine
CID 131089000
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
CID 43542037
N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542176
1-(3-ethylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101741
2-methyl-3-(3-methylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 62619774
2-(3-methylmorpholin-4-yl)-1-(2-methylphenyl)ethanamine
CID 43542047
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
CID 63029800
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
1-cyclopentyl-N-methyl-2-(3-methylmorpholin-4-yl)ethanamine
CID 104744784
1-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropan-1-amine
CID 131014785
2-[2-(3-methylmorpholin-4-yl)ethoxy]ethanamine
CID 79479470

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine?
The IUPAC name of (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine (CID 130522087) is (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine.
What is the SMILES notation for (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine?
The canonical SMILES for (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine is CC[C@@H](N)CN1CCOCC1C.
What is the InChIKey of (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine?
The InChIKey is DMIRSAWHNZAIKR-YGPZHTELSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-9(10)6-11-4-5-12-7-8(11)2/h8-9H,3-7,10H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine?
(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylmorpholin-4-yl)butan-2-amine is sourced from PubChem (CID 130522087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).