1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol

C14H30N2O2 — CID 111916497

IUPAC1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CCC(C)(C)C)CC(O)CN1CCOCC1
InChIInChI=1S/C14H30N2O2/c1-14(2,3)5-6-15(4)11-13(17)12-16-7-9-18-10-8-16/h13,17H,5-12H2,1-4H3
InChIKeyCMHFRJFWIYPGOX-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.05
Rot. Bonds6

About 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol

1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916497) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916497
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CCC(C)(C)C)CC(O)CN1CCOCC1
InChIInChI=1S/C14H30N2O2/c1-14(2,3)5-6-15(4)11-13(17)12-16-7-9-18-10-8-16/h13,17H,5-12H2,1-4H3
InChIKeyCMHFRJFWIYPGOX-UHFFFAOYSA-N
XLogP1.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(3,3,3-trifluoropropyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110905333
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916407
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
1-[methyl(2-naphthalen-1-ylethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110922046
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3,4,4-tetramethylpentanamide
CID 111912430
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate
CID 131888727
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol (CID 111916497) is 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol is CN(CCC(C)(C)C)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is CMHFRJFWIYPGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(2,3)5-6-15(4)11-13(17)12-16-7-9-18-10-8-16/h13,17H,5-12H2,1-4H3.
What are the key properties of 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).