2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol

C12H24N2O2 — CID 63740897

IUPAC2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
SMILESNCC1(CN(CCO)C2CC2)CCCOC1
InChIInChI=1S/C12H24N2O2/c13-8-12(4-1-7-16-10-12)9-14(5-6-15)11-2-3-11/h11,15H,1-10,13H2
InChIKeyVNZHCFCIYJIZHD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.20
Rot. Bonds6

About 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol

2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol (PubChem CID 63740897) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
PubChem CID63740897
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
SMILESNCC1(CN(CCO)C2CC2)CCCOC1
InChIInChI=1S/C12H24N2O2/c13-8-12(4-1-7-16-10-12)9-14(5-6-15)11-2-3-11/h11,15H,1-10,13H2
InChIKeyVNZHCFCIYJIZHD-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol
CID 63745392
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277416
[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol
CID 78987452
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 63741894
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
CID 65009202
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol (CID 63740897) is 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol is NCC1(CN(CCO)C2CC2)CCCOC1.
What is the InChIKey of 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol?
The InChIKey is VNZHCFCIYJIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-8-12(4-1-7-16-10-12)9-14(5-6-15)11-2-3-11/h11,15H,1-10,13H2.
What are the key properties of 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol?
2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol has a molecular weight of 228.34 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 63740897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).