3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol

C10H23NO3 — CID 66221489

IUPAC3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol
SMILESCOC(CN(CCCO)C(C)C)OC
InChIInChI=1S/C10H23NO3/c1-9(2)11(6-5-7-12)8-10(13-3)14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyVLRXURCKTBVTKA-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.70
Rot. Bonds8

About 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol

3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol (PubChem CID 66221489) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol
PubChem CID66221489
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol
SMILESCOC(CN(CCCO)C(C)C)OC
InChIInChI=1S/C10H23NO3/c1-9(2)11(6-5-7-12)8-10(13-3)14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyVLRXURCKTBVTKA-UHFFFAOYSA-N
XLogP0.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-dimethoxyethyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol (CID 66221489) is 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol is COC(CN(CCCO)C(C)C)OC.
What is the InChIKey of 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is VLRXURCKTBVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-9(2)11(6-5-7-12)8-10(13-3)14-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol?
3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 66221489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).