2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine

C13H29NO2 — CID 79626272

IUPAC2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)COCCOCCC
InChIInChI=1S/C13H29NO2/c1-5-7-14-11-13(3,4)12-16-10-9-15-8-6-2/h14H,5-12H2,1-4H3
InChIKeyUQAQYGSMJOLAHG-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.46
Rot. Bonds11

About 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine

2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine (PubChem CID 79626272) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
PubChem CID79626272
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)COCCOCCC
InChIInChI=1S/C13H29NO2/c1-5-7-14-11-13(3,4)12-16-10-9-15-8-6-2/h14H,5-12H2,1-4H3
InChIKeyUQAQYGSMJOLAHG-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
CID 103406228
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
CID 172821329
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 62725135
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756650
2,2,4,4-tetramethyl-N-propylpentan-1-amine
CID 177180730
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
2-methyl-1-octoxy-3-(propylamino)propan-2-ol
CID 66335798

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine (CID 79626272) is 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine is CCCNCC(C)(C)COCCOCCC.
What is the InChIKey of 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine?
The InChIKey is UQAQYGSMJOLAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-7-14-11-13(3,4)12-16-10-9-15-8-6-2/h14H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine?
2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 79626272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).