1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol

C15H30N2O3 — CID 106674199

IUPAC1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
SMILESCC(C)CNCC1(CN2CC(O)C(O)C2)CCOCC1
InChIInChI=1S/C15H30N2O3/c1-12(2)7-16-10-15(3-5-20-6-4-15)11-17-8-13(18)14(19)9-17/h12-14,16,18-19H,3-11H2,1-2H3
InChIKeySUSJLQOPKQJHTE-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.07
Rot. Bonds6

About 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol

1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 106674199) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
PubChem CID106674199
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
SMILESCC(C)CNCC1(CN2CC(O)C(O)C2)CCOCC1
InChIInChI=1S/C15H30N2O3/c1-12(2)7-16-10-15(3-5-20-6-4-15)11-17-8-13(18)14(19)9-17/h12-14,16,18-19H,3-11H2,1-2H3
InChIKeySUSJLQOPKQJHTE-UHFFFAOYSA-N
XLogP0.07
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol with MolForge

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Related Compounds

1-[[4-(propylaminomethyl)oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674033
1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674198
1-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]piperidin-3-ol
CID 62261044
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
[4-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]morpholin-2-yl]methanol
CID 81214333
N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62392364
3-methyl-1-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-ol
CID 103358497
2-methyl-N-[[3-[(4-methyl-1,4-diazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261940
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037
2-methyl-N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55243009
N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 83182901
1-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]piperidin-4-yl]ethanol
CID 106837791

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol (CID 106674199) is 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol is CC(C)CNCC1(CN2CC(O)C(O)C2)CCOCC1.
What is the InChIKey of 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is SUSJLQOPKQJHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)7-16-10-15(3-5-20-6-4-15)11-17-8-13(18)14(19)9-17/h12-14,16,18-19H,3-11H2,1-2H3.
What are the key properties of 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol?
1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol has a molecular weight of 286.42 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).