2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol

C16H30N2O2 — CID 114800136

IUPAC2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC2(CNC3CC3)CCOCC2)C1
InChIInChI=1S/C16H30N2O2/c19-8-4-14-3-7-18(11-14)13-16(5-9-20-10-6-16)12-17-15-1-2-15/h14-15,17,19H,1-13H2
InChIKeyDOPRBGAWWNLVPP-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.24
Rot. Bonds7

About 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol

2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 114800136) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID114800136
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC2(CNC3CC3)CCOCC2)C1
InChIInChI=1S/C16H30N2O2/c19-8-4-14-3-7-18(11-14)13-16(5-9-20-10-6-16)12-17-15-1-2-15/h14-15,17,19H,1-13H2
InChIKeyDOPRBGAWWNLVPP-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228887
2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
CID 62391797
1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674198
N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62931491
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
N-[[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391826
2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
CID 107228855
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62907143
2-[1-[[4-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 114800043
[1-[[1-[(cyclopropylamino)methyl]-3-methylcyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967181

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol (CID 114800136) is 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(CC2(CNC3CC3)CCOCC2)C1.
What is the InChIKey of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DOPRBGAWWNLVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c19-8-4-14-3-7-18(11-14)13-16(5-9-20-10-6-16)12-17-15-1-2-15/h14-15,17,19H,1-13H2.
What are the key properties of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol?
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 282.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).