1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol

C12H26N2O2 — CID 103532073

IUPAC1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCOC1CCN(CC(O)CNCC(C)C)C1
InChIInChI=1S/C12H26N2O2/c1-10(2)6-13-7-11(15)8-14-5-4-12(9-14)16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyLARHGUSCZYDOJZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.31
Rot. Bonds7

About 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol

1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 103532073) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
PubChem CID103532073
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCOC1CCN(CC(O)CNCC(C)C)C1
InChIInChI=1S/C12H26N2O2/c1-10(2)6-13-7-11(15)8-14-5-4-12(9-14)16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyLARHGUSCZYDOJZ-UHFFFAOYSA-N
XLogP0.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol (CID 103532073) is 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol is COC1CCN(CC(O)CNCC(C)C)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is LARHGUSCZYDOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)6-13-7-11(15)8-14-5-4-12(9-14)16-3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 103532073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).