N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine

C11H20N4O — CID 122164329

IUPACN-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
SMILESCNC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-12-7-10-11(14(2)4-5-16-10)9-6-13-15(3)8-9/h6,8,10-12H,4-5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyGUUUFGPKSXSYCA-QWRGUYRKSA-N
MW224.31 g/mol
LogP0.01
Rot. Bonds3

About N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine

N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine (PubChem CID 122164329) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
PubChem CID122164329
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
SMILESCNC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-12-7-10-11(14(2)4-5-16-10)9-6-13-15(3)8-9/h6,8,10-12H,4-5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyGUUUFGPKSXSYCA-QWRGUYRKSA-N
XLogP0.01
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,5S)-4,6,6-trimethyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]bicyclo[3.1.1]hept-3-en-2-amine
CID 167992870
1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine
CID 83094871
N-[[3-(1-ethylpyrazol-4-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 103570741
3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide
CID 136584967
5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide
CID 164635739
4-fluoro-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 136584058
2-(methylamino)-1-[(2S,3S)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940134
1-[4-cyclopropyl-3-(1,5-dimethylpyrazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 79583955
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
(1-methylpiperidin-4-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155506386
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine (CID 122164329) is N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine is CNC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine?
The InChIKey is GUUUFGPKSXSYCA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-7-10-11(14(2)4-5-16-10)9-6-13-15(3)8-9/h6,8,10-12H,4-5,7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine?
N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 122164329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).