4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol

C12H26N2O3 — CID 114266086

IUPAC4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol
SMILESCC(CN)OCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C12H26N2O3/c1-11(9-13)17-8-5-14(2)10-12(15)3-6-16-7-4-12/h11,15H,3-10,13H2,1-2H3
InChIKeyKKCLQYHJVJVSFU-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.18
Rot. Bonds7

About 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol

4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol (PubChem CID 114266086) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol
PubChem CID114266086
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol
SMILESCC(CN)OCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C12H26N2O3/c1-11(9-13)17-8-5-14(2)10-12(15)3-6-16-7-4-12/h11,15H,3-10,13H2,1-2H3
InChIKeyKKCLQYHJVJVSFU-UHFFFAOYSA-N
XLogP-0.18
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol (CID 114266086) is 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol is CC(CN)OCCN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol?
The InChIKey is KKCLQYHJVJVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(9-13)17-8-5-14(2)10-12(15)3-6-16-7-4-12/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol?
4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol has a molecular weight of 246.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-aminopropan-2-yloxy)ethyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114266086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).