4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol

C15H32N2O2 — CID 104961364

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H32N2O2/c1-6-7-16-15(5,11-18)8-12(2)17-9-13(3)19-14(4)10-17/h12-14,16,18H,6-11H2,1-5H3/t12?,13-,14+,15?
InChIKeyUFUSANWDHSUAQO-HFDVOGEKSA-N
MW272.43 g/mol
LogP1.62
Rot. Bonds7

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 104961364) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID104961364
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H32N2O2/c1-6-7-16-15(5,11-18)8-12(2)17-9-13(3)19-14(4)10-17/h12-14,16,18H,6-11H2,1-5H3/t12?,13-,14+,15?
InChIKeyUFUSANWDHSUAQO-HFDVOGEKSA-N
XLogP1.62
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol
CID 104961376
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol
CID 104961371
2-methyl-4-(2-methylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 64792241
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol
CID 64787060
2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol
CID 64789711
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 130503163
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol
CID 64827999
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
CID 64727585
2-methyl-2-(propan-2-ylamino)-4-(2,2,6-trimethylmorpholin-4-yl)pentan-1-ol
CID 64789765

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol (CID 104961364) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is UFUSANWDHSUAQO-HFDVOGEKSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-7-16-15(5,11-18)8-12(2)17-9-13(3)19-14(4)10-17/h12-14,16,18H,6-11H2,1-5H3/t12?,13-,14+,15?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 104961364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).