2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol

C15H31N3O3 — CID 173219552

IUPAC2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol
SMILESCCNCC(O)OC(OC)([C@H]1CCCN1)[C@H]1CCCN1C
InChIInChI=1S/C15H31N3O3/c1-4-16-11-14(19)21-15(20-3,12-7-5-9-17-12)13-8-6-10-18(13)2/h12-14,16-17,19H,4-11H2,1-3H3/t12-,13-,14?,15?/m1/s1
InChIKeyFYHBKOLCHLJIFH-LMRVLLHPSA-N
MW301.43 g/mol
LogP0.12
Rot. Bonds8

About 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol

2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol (PubChem CID 173219552) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol
PubChem CID173219552
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol
SMILESCCNCC(O)OC(OC)([C@H]1CCCN1)[C@H]1CCCN1C
InChIInChI=1S/C15H31N3O3/c1-4-16-11-14(19)21-15(20-3,12-7-5-9-17-12)13-8-6-10-18(13)2/h12-14,16-17,19H,4-11H2,1-3H3/t12-,13-,14?,15?/m1/s1
InChIKeyFYHBKOLCHLJIFH-LMRVLLHPSA-N
XLogP0.12
TPSA65.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol?
The IUPAC name of 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol (CID 173219552) is 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol.
What is the SMILES notation for 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol?
The canonical SMILES for 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol is CCNCC(O)OC(OC)([C@H]1CCCN1)[C@H]1CCCN1C.
What is the InChIKey of 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol?
The InChIKey is FYHBKOLCHLJIFH-LMRVLLHPSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-4-16-11-14(19)21-15(20-3,12-7-5-9-17-12)13-8-6-10-18(13)2/h12-14,16-17,19H,4-11H2,1-3H3/t12-,13-,14?,15?/m1/s1.
What are the key properties of 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol?
2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol has a molecular weight of 301.43 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[methoxy-[(2R)-1-methylpyrrolidin-2-yl]-[(2R)-pyrrolidin-2-yl]methoxy]ethanol is sourced from PubChem (CID 173219552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).