(3S,5R)-3,5-dimethylmorpholine;hydrochloride

C6H14ClNO — CID 20818712

IUPAC(3S,5R)-3,5-dimethylmorpholine;hydrochloride
SMILESC[C@@H]1COC[C@H](C)N1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-3-8-4-6(2)7-5;/h5-7H,3-4H2,1-2H3;1H/t5-,6+;
InChIKeySBXQYCSQVMVHQR-KNCHESJLSA-N
MW151.64 g/mol
LogP0.81
Rot. Bonds

About (3S,5R)-3,5-dimethylmorpholine;hydrochloride

(3S,5R)-3,5-dimethylmorpholine;hydrochloride (PubChem CID 20818712) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethylmorpholine;hydrochloride
PubChem CID20818712
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(3S,5R)-3,5-dimethylmorpholine;hydrochloride
SMILESC[C@@H]1COC[C@H](C)N1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-3-8-4-6(2)7-5;/h5-7H,3-4H2,1-2H3;1H/t5-,6+;
InChIKeySBXQYCSQVMVHQR-KNCHESJLSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethylmorpholine
CID 8862
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N,N-dimethyl-1-[(3S)-5-methylmorpholin-3-yl]methanamine
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2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
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3,5-dimethylmorpholine;2-methylcyclohexa-2,5-diene-1,4-dione
CID 174853513
3-(5-methylmorpholin-3-yl)pentane-2,4-dione
CID 116685368
3-methyl-5-(5-methyloxolan-2-yl)morpholine
CID 130533427
(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
CID 95437543
4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
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3-(4-chlorophenyl)-5-methylmorpholine
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2-(5-methylmorpholin-3-yl)cycloheptan-1-ol
CID 116685503

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethylmorpholine;hydrochloride?
The IUPAC name of (3S,5R)-3,5-dimethylmorpholine;hydrochloride (CID 20818712) is (3S,5R)-3,5-dimethylmorpholine;hydrochloride.
What is the SMILES notation for (3S,5R)-3,5-dimethylmorpholine;hydrochloride?
The canonical SMILES for (3S,5R)-3,5-dimethylmorpholine;hydrochloride is C[C@@H]1COC[C@H](C)N1.Cl.
What is the InChIKey of (3S,5R)-3,5-dimethylmorpholine;hydrochloride?
The InChIKey is SBXQYCSQVMVHQR-KNCHESJLSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-5-3-8-4-6(2)7-5;/h5-7H,3-4H2,1-2H3;1H/t5-,6+;.
What are the key properties of (3S,5R)-3,5-dimethylmorpholine;hydrochloride?
(3S,5R)-3,5-dimethylmorpholine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 20818712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).