1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol

C14H26N2O3 — CID 106674069

IUPAC1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(CC2(CNC3CC3)CCCOC2)CC1O
InChIInChI=1S/C14H26N2O3/c17-12-6-16(7-13(12)18)9-14(4-1-5-19-10-14)8-15-11-2-3-11/h11-13,15,17-18H,1-10H2
InChIKeyWLEVFCYOYMUWNC-UHFFFAOYSA-N
MW270.37 g/mol
LogP-0.43
Rot. Bonds5

About 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol

1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 106674069) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
PubChem CID106674069
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(CC2(CNC3CC3)CCCOC2)CC1O
InChIInChI=1S/C14H26N2O3/c17-12-6-16(7-13(12)18)9-14(4-1-5-19-10-14)8-15-11-2-3-11/h11-13,15,17-18H,1-10H2
InChIKeyWLEVFCYOYMUWNC-UHFFFAOYSA-N
XLogP-0.43
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 79184590
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740628
1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674198
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740707
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 63159777
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
CID 116638187
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741363
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262140
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol (CID 106674069) is 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol is OC1CN(CC2(CNC3CC3)CCCOC2)CC1O.
What is the InChIKey of 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is WLEVFCYOYMUWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-12-6-16(7-13(12)18)9-14(4-1-5-19-10-14)8-15-11-2-3-11/h11-13,15,17-18H,1-10H2.
What are the key properties of 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol?
1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol has a molecular weight of 270.37 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).