3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine

C12H24N2O2 — CID 93262389

IUPAC3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
SMILESC1CO[C@@H](CNCCCN2CCOCC2)C1
InChIInChI=1S/C12H24N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h12-13H,1-11H2/t12-/m1/s1
InChIKeyJJMGFUZPPJKOTP-GFCCVEGCSA-N
MW228.34 g/mol
LogP0.48
Rot. Bonds6

About 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine

3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine (PubChem CID 93262389) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
PubChem CID93262389
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
SMILESC1CO[C@@H](CNCCCN2CCOCC2)C1
InChIInChI=1S/C12H24N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h12-13H,1-11H2/t12-/m1/s1
InChIKeyJJMGFUZPPJKOTP-GFCCVEGCSA-N
XLogP0.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide
CID 51362759
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
N-(1,3-dioxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 81100973
N-(1,4-dioxan-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 61494260
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine
CID 81101551
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 62557540

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine (CID 93262389) is 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine is C1CO[C@@H](CNCCCN2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is JJMGFUZPPJKOTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h12-13H,1-11H2/t12-/m1/s1.
What are the key properties of 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 93262389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).