N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine

C8H18N2O — CID 45088569

IUPACN,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine
SMILESC[C@@H]1CO[C@@H](CN(C)C)CN1
InChIInChI=1S/C8H18N2O/c1-7-6-11-8(4-9-7)5-10(2)3/h7-9H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyRNTMIYUVTHOWDK-HTQZYQBOSA-N
MW158.24 g/mol
LogP-0.08
Rot. Bonds2

About N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine

N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine (PubChem CID 45088569) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine
PubChem CID45088569
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine
SMILESC[C@@H]1CO[C@@H](CN(C)C)CN1
InChIInChI=1S/C8H18N2O/c1-7-6-11-8(4-9-7)5-10(2)3/h7-9H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyRNTMIYUVTHOWDK-HTQZYQBOSA-N
XLogP-0.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine (CID 45088569) is N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine is C[C@@H]1CO[C@@H](CN(C)C)CN1.
What is the InChIKey of N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine?
The InChIKey is RNTMIYUVTHOWDK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7-6-11-8(4-9-7)5-10(2)3/h7-9H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine?
N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine has a molecular weight of 158.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 45088569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).