1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol

C11H24N2O2 — CID 63989069

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCC(CN)C1
InChIInChI=1S/C11H24N2O2/c1-9(2)15-8-11(14)7-13-4-3-10(5-12)6-13/h9-11,14H,3-8,12H2,1-2H3
InChIKeyKKOWWNGBLGCSNA-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.05
Rot. Bonds6

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 63989069) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID63989069
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCC(CN)C1
InChIInChI=1S/C11H24N2O2/c1-9(2)15-8-11(14)7-13-4-3-10(5-12)6-13/h9-11,14H,3-8,12H2,1-2H3
InChIKeyKKOWWNGBLGCSNA-UHFFFAOYSA-N
XLogP0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111165897
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 63989069) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is KKOWWNGBLGCSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)15-8-11(14)7-13-4-3-10(5-12)6-13/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63989069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).