1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol

C12H26N2O2 — CID 104760072

IUPAC1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)OCCNCC(O)CN1CCCC1
InChIInChI=1S/C12H26N2O2/c1-11(2)16-8-5-13-9-12(15)10-14-6-3-4-7-14/h11-13,15H,3-10H2,1-2H3
InChIKeyRGTODJIJXGDRCU-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds8

About 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 104760072) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID104760072
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)OCCNCC(O)CN1CCCC1
InChIInChI=1S/C12H26N2O2/c1-11(2)16-8-5-13-9-12(15)10-14-6-3-4-7-14/h11-13,15H,3-10H2,1-2H3
InChIKeyRGTODJIJXGDRCU-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010171
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
CID 66106831
1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 106221253
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
(2R)-1-[2-methoxy-4-[(2-propan-2-yloxyethylamino)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 26401319
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 112685123

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 104760072) is 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol is CC(C)OCCNCC(O)CN1CCCC1.
What is the InChIKey of 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is RGTODJIJXGDRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)16-8-5-13-9-12(15)10-14-6-3-4-7-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 104760072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).