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

C14H26N2O3 — CID 106674198

IUPAC1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(CC2(CNC3CC3)CCOCC2)CC1O
InChIInChI=1S/C14H26N2O3/c17-12-7-16(8-13(12)18)10-14(3-5-19-6-4-14)9-15-11-1-2-11/h11-13,15,17-18H,1-10H2
InChIKeySXXPIAHIESJEEN-UHFFFAOYSA-N
MW270.37 g/mol
LogP-0.43
Rot. Bonds5

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

1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 106674198) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
PubChem CID106674198
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(CC2(CNC3CC3)CCOCC2)CC1O
InChIInChI=1S/C14H26N2O3/c17-12-7-16(8-13(12)18)10-14(3-5-19-6-4-14)9-15-11-1-2-11/h11-13,15,17-18H,1-10H2
InChIKeySXXPIAHIESJEEN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
CID 106674069
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114800136
N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62931491
2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
CID 62391797
1-[[4-(propylaminomethyl)oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674033
8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770155
1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674199
N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392555
N-[[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391826
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol (CID 106674198) is 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol is OC1CN(CC2(CNC3CC3)CCOCC2)CC1O.
What is the InChIKey of 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is SXXPIAHIESJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-12-7-16(8-13(12)18)10-14(3-5-19-6-4-14)9-15-11-1-2-11/h11-13,15,17-18H,1-10H2.
What are the key properties of 1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
1-[[4-[(cyclopropylamino)methyl]oxan-4-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-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).