1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol

C13H28N2O2 — CID 113296449

IUPAC1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
SMILESCCC(C)(CC)NCC(O)CN1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-4-13(3,5-2)14-10-12(16)11-15-6-8-17-9-7-15/h12,14,16H,4-11H2,1-3H3
InChIKeyRTUGOKYXWNVYHZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds7

About 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol

1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 113296449) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
PubChem CID113296449
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
SMILESCCC(C)(CC)NCC(O)CN1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-4-13(3,5-2)14-10-12(16)11-15-6-8-17-9-7-15/h12,14,16H,4-11H2,1-3H3
InChIKeyRTUGOKYXWNVYHZ-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-[(2-methylpropan-2-yl)oxyamino]-3-morpholin-4-ylpropan-2-ol
CID 82724312
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
1-morpholin-4-yl-3-(morpholin-4-ylamino)propan-2-ol
CID 83022230
3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide
CID 106277571
1-morpholin-4-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79359122
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol (CID 113296449) is 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol is CCC(C)(CC)NCC(O)CN1CCOCC1.
What is the InChIKey of 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is RTUGOKYXWNVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-13(3,5-2)14-10-12(16)11-15-6-8-17-9-7-15/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol?
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 113296449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).