(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine

C9H18N2O — CID 156519067

IUPAC(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1CC1CNC1
InChIInChI=1S/C9H18N2O/c1-8-7-12-3-2-11(8)6-9-4-10-5-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyHPGKEDNBADALRA-MRVPVSSYSA-N
MW170.26 g/mol
LogP-0.07
Rot. Bonds2

About (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine

(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine (PubChem CID 156519067) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine
PubChem CID156519067
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1CC1CNC1
InChIInChI=1S/C9H18N2O/c1-8-7-12-3-2-11(8)6-9-4-10-5-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyHPGKEDNBADALRA-MRVPVSSYSA-N
XLogP-0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
4-(Morpholin-4-yl)butan-2-amine
CID 16767299
2-Methyl-3-(morpholin-4-yl)propan-1-amine
CID 17609127
3-(Morpholin-4-yl)butan-1-amine
CID 20069556
4-[(Azetidin-3-yl)methyl]morpholine dihydrochloride
CID 71303167
N-methyl-3-morpholinopropan-1-amine
CID 22594078
4-(Azetidin-3-ylmethyl)morpholine
CID 66596271
4-(3-Methylazetidin-3-yl)morpholine
CID 66936438
[((2R,5R)-5-methylmorpholin-2-yl)methyl]dimethylamine
CID 45088569
1-(Azetidin-3-yl)-4-(2-methoxyethyl)piperazine
CID 66204108
2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propan-1-amine
CID 16252042
4-(2-Methylpropyl)morpholin-4-ium
CID 7269393

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine?
The IUPAC name of (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine (CID 156519067) is (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine?
The canonical SMILES for (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine is C[C@@H]1COCCN1CC1CNC1.
What is the InChIKey of (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine?
The InChIKey is HPGKEDNBADALRA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-7-12-3-2-11(8)6-9-4-10-5-9/h8-10H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine?
(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine has a molecular weight of 170.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine is sourced from PubChem (CID 156519067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).