3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen

C15H34N2O2 — CID 161456094

IUPAC3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
SMILESCC(C)CN1CCO[C@H](COCCCNC(C)C)C1.[H][H]
InChIInChI=1S/C15H32N2O2.H2/c1-13(2)10-17-7-9-19-15(11-17)12-18-8-5-6-16-14(3)4;/h13-16H,5-12H2,1-4H3;1H/t15-;/m0./s1
InChIKeyWBEBQDSVCOIUKD-RSAXXLAASA-N
MW274.45 g/mol
LogP1.99
Rot. Bonds9

About 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen

3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen (PubChem CID 161456094) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
PubChem CID161456094
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
SMILESCC(C)CN1CCO[C@H](COCCCNC(C)C)C1.[H][H]
InChIInChI=1S/C15H32N2O2.H2/c1-13(2)10-17-7-9-19-15(11-17)12-18-8-5-6-16-14(3)4;/h13-16H,5-12H2,1-4H3;1H/t15-;/m0./s1
InChIKeyWBEBQDSVCOIUKD-RSAXXLAASA-N
XLogP1.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.99
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

(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
N-methyl-3-[[(2R)-4-propylmorpholin-2-yl]methoxy]propan-1-amine
CID 169214682
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
1-(3-butoxypropyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111239822
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
CID 102868081

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
The IUPAC name of 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen (CID 161456094) is 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
The canonical SMILES for 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen is CC(C)CN1CCO[C@H](COCCCNC(C)C)C1.[H][H].
What is the InChIKey of 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
The InChIKey is WBEBQDSVCOIUKD-RSAXXLAASA-N. The full InChI is InChI=1S/C15H32N2O2.H2/c1-13(2)10-17-7-9-19-15(11-17)12-18-8-5-6-16-14(3)4;/h13-16H,5-12H2,1-4H3;1H/t15-;/m0./s1.
What are the key properties of 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen?
3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen has a molecular weight of 274.45 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 161456094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).