2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

C15H31N3O2 — CID 64790692

IUPAC2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-13(2)16-15(3,12-19)11-17-5-4-14(10-17)18-6-8-20-9-7-18/h13-14,16,19H,4-12H2,1-3H3
InChIKeyWQOSDAAFHCNYPQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.14
Rot. Bonds6

About 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64790692) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64790692
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-13(2)16-15(3,12-19)11-17-5-4-14(10-17)18-6-8-20-9-7-18/h13-14,16,19H,4-12H2,1-3H3
InChIKeyWQOSDAAFHCNYPQ-UHFFFAOYSA-N
XLogP0.14
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788217
3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64787038
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)propan-1-ol
CID 81205687
2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64788383
2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 64790693
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64791067
2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
CID 63171249
2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79925008
4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63171009
2-methyl-4-(1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64790904

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (CID 64790692) is 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)(CO)CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is WQOSDAAFHCNYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(2)16-15(3,12-19)11-17-5-4-14(10-17)18-6-8-20-9-7-18/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64790692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).