3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol

C10H23NO3 — CID 65108452

IUPAC3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(OC)OC
InChIInChI=1S/C10H23NO3/c1-5-10(12,6-2)8-11-7-9(13-3)14-4/h9,11-12H,5-8H2,1-4H3
InChIKeyKUXRCGQNKKPMES-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.75
Rot. Bonds8

About 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol

3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol (PubChem CID 65108452) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
PubChem CID65108452
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(OC)OC
InChIInChI=1S/C10H23NO3/c1-5-10(12,6-2)8-11-7-9(13-3)14-4/h9,11-12H,5-8H2,1-4H3
InChIKeyKUXRCGQNKKPMES-UHFFFAOYSA-N
XLogP0.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol (CID 65108452) is 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCC(OC)OC.
What is the InChIKey of 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol?
The InChIKey is KUXRCGQNKKPMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-5-10(12,6-2)8-11-7-9(13-3)14-4/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol?
3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol has a molecular weight of 205.30 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65108452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).