1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol

C13H27NO2 — CID 62624456

IUPAC1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol
SMILESCC1CN(CCC(O)C(C)(C)C)C(C)CO1
InChIInChI=1S/C13H27NO2/c1-10-9-16-11(2)8-14(10)7-6-12(15)13(3,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeySVCCUIILCMTYEA-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds3

About 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol

1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol (PubChem CID 62624456) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol
PubChem CID62624456
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol
SMILESCC1CN(CCC(O)C(C)(C)C)C(C)CO1
InChIInChI=1S/C13H27NO2/c1-10-9-16-11(2)8-14(10)7-6-12(15)13(3,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeySVCCUIILCMTYEA-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylmorpholin-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62625316
2-amino-4-(2,5-dimethylmorpholin-4-yl)butanamide
CID 63029627
3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
4-(2-iodoethyl)-2,5-dimethylmorpholine
CID 130977867
3-(2,5-dimethylmorpholin-4-yl)propanethioamide
CID 43544623
3-[(2S,5S)-2,5-dimethylmorpholin-4-yl]propanenitrile
CID 45088973
2-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methylbutan-1-ol
CID 62272394
1-cyclopentyl-2-(2,5-dimethylmorpholin-4-yl)ethanol
CID 104752531
1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 55099046
3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-4-fluoroaniline
CID 62561905
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopropanamine
CID 60841046

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol (CID 62624456) is 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol is CC1CN(CCC(O)C(C)(C)C)C(C)CO1.
What is the InChIKey of 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is SVCCUIILCMTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-9-16-11(2)8-14(10)7-6-12(15)13(3,4)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol?
1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 229.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62624456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).