(3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine

C12H25N3O — CID 141468146

IUPAC(3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine
SMILESC[C@@H]1CNC[C@@H](CN2CC[C@@H](N(C)C)C2)O1
InChIInChI=1S/C12H25N3O/c1-10-6-13-7-12(16-10)9-15-5-4-11(8-15)14(2)3/h10-13H,4-9H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyCGCMTESWTGRBLP-UTUOFQBUSA-N
MW227.35 g/mol
LogP-0.00
Rot. Bonds3

About (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine

(3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 141468146) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine
PubChem CID141468146
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine
SMILESC[C@@H]1CNC[C@@H](CN2CC[C@@H](N(C)C)C2)O1
InChIInChI=1S/C12H25N3O/c1-10-6-13-7-12(16-10)9-15-5-4-11(8-15)14(2)3/h10-13H,4-9H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyCGCMTESWTGRBLP-UTUOFQBUSA-N
XLogP-0.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine (CID 141468146) is (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine is C[C@@H]1CNC[C@@H](CN2CC[C@@H](N(C)C)C2)O1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is CGCMTESWTGRBLP-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-6-13-7-12(16-10)9-15-5-4-11(8-15)14(2)3/h10-13H,4-9H2,1-3H3/t10-,11-,12+/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 227.35 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 141468146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).