1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol

C9H22N2O3 — CID 163527672

IUPAC1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol
SMILESCCCC(NC)C(O)NCC(O)OC
InChIInChI=1S/C9H22N2O3/c1-4-5-7(10-2)9(13)11-6-8(12)14-3/h7-13H,4-6H2,1-3H3
InChIKeyDQDRYYLSBPFYBT-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.75
Rot. Bonds8

About 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol

1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol (PubChem CID 163527672) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol
PubChem CID163527672
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol
SMILESCCCC(NC)C(O)NCC(O)OC
InChIInChI=1S/C9H22N2O3/c1-4-5-7(10-2)9(13)11-6-8(12)14-3/h7-13H,4-6H2,1-3H3
InChIKeyDQDRYYLSBPFYBT-UHFFFAOYSA-N
XLogP-0.75
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol?
The IUPAC name of 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol (CID 163527672) is 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol?
The canonical SMILES for 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol is CCCC(NC)C(O)NCC(O)OC.
What is the InChIKey of 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol?
The InChIKey is DQDRYYLSBPFYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c1-4-5-7(10-2)9(13)11-6-8(12)14-3/h7-13H,4-6H2,1-3H3.
What are the key properties of 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol?
1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of -0.75, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 163527672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).