1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol

C12H26N2O2 — CID 63931720

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCCC1CN(C)C
InChIInChI=1S/C12H26N2O2/c1-4-16-10-12(15)9-14-7-5-6-11(14)8-13(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyPNSLGRQFUMIOQM-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.41
Rot. Bonds7

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol (PubChem CID 63931720) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
PubChem CID63931720
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCCC1CN(C)C
InChIInChI=1S/C12H26N2O2/c1-4-16-10-12(15)9-14-7-5-6-11(14)8-13(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyPNSLGRQFUMIOQM-UHFFFAOYSA-N
XLogP0.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentan-2-ol
CID 62887965
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 124856114
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95626124

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol (CID 63931720) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol is CCOCC(O)CN1CCCC1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol?
The InChIKey is PNSLGRQFUMIOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-16-10-12(15)9-14-7-5-6-11(14)8-13(2)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63931720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).