1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol

C12H26N2O2 — CID 115474924

IUPAC1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol
SMILESCC1COCCN1CC(O)CNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10-9-16-6-5-14(10)8-11(15)7-13-12(2,3)4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyZLOKLAXXEALUQL-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds4

About 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol

1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol (PubChem CID 115474924) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol
PubChem CID115474924
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol
SMILESCC1COCCN1CC(O)CNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10-9-16-6-5-14(10)8-11(15)7-13-12(2,3)4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyZLOKLAXXEALUQL-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 62257332
N-tert-butyl-5-(3-methylmorpholin-4-yl)pentan-1-amine
CID 55074463
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 113296449
4-(2-fluorobutyl)-3-methylmorpholine
CID 131089000
(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 130522087
2-(ethylamino)-2-methyl-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 64796611
1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888215
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
1-cyclopentyl-N-methyl-2-(3-methylmorpholin-4-yl)ethanamine
CID 104744784
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol (CID 115474924) is 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol is CC1COCCN1CC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol?
The InChIKey is ZLOKLAXXEALUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10-9-16-6-5-14(10)8-11(15)7-13-12(2,3)4/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol?
1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 115474924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).