2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol

C13H29NO2 — CID 82942000

IUPAC2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol
SMILESCCCOCCCNCC(CC)(CC)CO
InChIInChI=1S/C13H29NO2/c1-4-9-16-10-7-8-14-11-13(5-2,6-3)12-15/h14-15H,4-12H2,1-3H3
InChIKeyBJGOQVMJLDHMDP-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.19
Rot. Bonds11

About 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol

2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol (PubChem CID 82942000) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol
PubChem CID82942000
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol
SMILESCCCOCCCNCC(CC)(CC)CO
InChIInChI=1S/C13H29NO2/c1-4-9-16-10-7-8-14-11-13(5-2,6-3)12-15/h14-15H,4-12H2,1-3H3
InChIKeyBJGOQVMJLDHMDP-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
CID 106255999
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
CID 106309987
2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
CID 115517280
ethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]butanoate
CID 81418963
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
2,2-bis(decoxymethyl)butan-1-ol
CID 71361310

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol (CID 82942000) is 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol is CCCOCCCNCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol?
The InChIKey is BJGOQVMJLDHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-9-16-10-7-8-14-11-13(5-2,6-3)12-15/h14-15H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol?
2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol is sourced from PubChem (CID 82942000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).