3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine

C12H28N2O — CID 79627569

IUPAC3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-6-13-10-12(2,3)11-15-9-7-8-14(4)5/h13H,6-11H2,1-5H3
InChIKeyBVDARNBYMKEHAE-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine

3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 79627569) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID79627569
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-6-13-10-12(2,3)11-15-9-7-8-14(4)5/h13H,6-11H2,1-5H3
InChIKeyBVDARNBYMKEHAE-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
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

N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 106206190
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
CID 62460782
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
CID 62458821
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
CID 103406228
2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
CID 79626272
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine (CID 79627569) is 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is BVDARNBYMKEHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-13-10-12(2,3)11-15-9-7-8-14(4)5/h13H,6-11H2,1-5H3.
What are the key properties of 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine?
3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79627569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).